SCHEMBL12433897

SCHEMBL12433897

c1ccc(N(c2ccc(-c3ccc4ccc5c(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)ccc6ccc3c4c65)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.38
CYP1A2 P05177 3/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PPARG P37231 5/20 0.33
PPARA Q07869 5/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
RXRA P19793 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12433945 1.00 SIGMAR1 (0.38) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL18174836 0.99 CYP1A2 (0.38) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL17263999 0.96 SIGMAR1 (0.38) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL17263970 0.96 SIGMAR1 (0.38) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL22744779 0.95 CYP1A2 (0.39) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL10028985 0.93 SIGMAR1 (0.38) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL13899977 0.93 SIGMAR1 (0.37) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL13899984 0.93 SIGMAR1 (0.38) SIGMAR1CYP1A2CA12CA1CA2
SCHEMBL18174843 0.93 CYP1A2 (0.40) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL10028998 0.92 SIGMAR1 (0.37) SIGMAR1CYP1A2ALDH1A1THRBHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11785846-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-10-10 US disclosed
US-11785846-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-10-10 US disclosed
US-11751476-B2 Electron buffering material and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-09-05 US disclosed
US-11751476-B2 Electron buffering material and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-09-05 US disclosed
US-11588112-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-02-21 US disclosed
US-11527728-B2 Organic electroluminescent compounds and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2022-12-13 US disclosed
US-20220209137-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2022-06-30 US disclosed
US-11183640-B2 Organic electroluminescent device comprising electrontransport layer and electron buffer layer ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2021-11-23 US disclosed
US-20210328155-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-10-21 US disclosed
US-10991889-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2021-04-27 US disclosed
US-20190355913-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-11-21 US disclosed
US-20190214572-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING ELECTRONTRANSPORT LAYER AND ELECTRON BUFFER LAYER DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2019-07-11 US disclosed
US-20190148645-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-05-16 US disclosed
WO-2017175986-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-10-12 WO disclosed
US-20170117485-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-04-27 US disclosed
US-20170117485-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-04-27 US disclosed
WO-2017065419-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-04-20 WO disclosed
WO-2015142036-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-09-24 WO disclosed
US-7981523-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-07-19 US disclosed
US-7981523-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-07-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210328155-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME SOD1, MT-ND4, GPX4 SIGMAR1 2338/4885CYP1A2 4535/4885ALDH1A1 1659/4885
US-11183640-B2 Organic electroluminescent device comprising electrontransport layer and electron buffer layer SLC8B1, SLC9A2, SLC9B2 SIGMAR1 3575/4885CYP1A2 2802/4885ALDH1A1 1399/4885
US-11527728-B2 Organic electroluminescent compounds and organic electroluminescent device comprising the same VDAC1, VDAC2, VAPA SIGMAR1 3693/4885CYP1A2 4424/4885ALDH1A1 2484/4885
US-11751476-B2 Electron buffering material and organic electroluminescent device comprising the same SOD1, MT-ND4, GPX4 SIGMAR1 2338/4885CYP1A2 4535/4885ALDH1A1 1659/4885
US-10991889-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same OR10J3, EPCAM, L1CAM SIGMAR1 1800/4885CYP1A2 1897/4885ALDH1A1 534/4885
US-20190148645-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, L1CAM, SOD1 SIGMAR1 2244/4885CYP1A2 3373/4885ALDH1A1 606/4885
US-20190214572-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING ELECTRONTRANSPORT LAYER AND ELECTRON BUFFER LAYER SLC8B1, SLC9A2, SLC9B2 SIGMAR1 3575/4885CYP1A2 2802/4885ALDH1A1 1399/4885
US-20170117485-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME SOD1, MT-ND4, GPX4 SIGMAR1 2338/4885CYP1A2 4535/4885ALDH1A1 1659/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.