SCHEMBL21158010

SCHEMBL21158010

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(ccc6ccc7nc(-c8ccccc8)oc7c65)c4)c4ccccc34)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
DHODH Q02127 3/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
ELANE P08246 1/20 0.37
PTGES O14684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL21167899 0.92 ESR1 (0.43) ESR1ESR2DHODHMAPTALDH1A1
SCHEMBL20413922 0.91 DHODH (0.44) ESR1ESR2DHODHMAPTALDH1A1
SCHEMBL20391605 0.90 DHODH (0.43) ESR1ESR2DHODHMAPTALDH1A1
SCHEMBL23944846 0.88 ESR1 (0.45) ESR1ESR2DHODHMAPTALDH1A1
SCHEMBL20413929 0.86 CYP1A1 (0.45) ESR1ESR2DHODHMAPTALDH1A1
SCHEMBL20413952 0.86 DHODH (0.43) ESR1ESR2DHODHMAPTALDH1A1
SCHEMBL23109815 0.86 ESR1 (0.42) ESR1ESR2DHODHMAPTALDH1A1
SCHEMBL22880575 0.85 DHODH (0.44) ESR1ESR2DHODHMAPTALDH1A1
SCHEMBL20413920 0.85 CYP1A1 (0.43) ESR1ESR2DHODHMAPTALDH1A1
SCHEMBL22880445 0.84 DHODH (0.43) ESR1ESR2DHODHMAPTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20200235307-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-07-23 US disclosed
US-20190355912-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-11-21 US disclosed
US-20190221751-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING AN ELECTRON BUFFER LAYER AND AN ELECTRON TRANSPORT LAYER DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2019-07-18 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

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

For each of this compound's patents that has machine-readable text (2 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-11183640-B2 Organic electroluminescent device comprising electrontransport layer and electron buffer layer SLC8B1, SLC9A2, SLC9B2 ESR1 264/4885ESR2 425/4885DHODH 2391/4885
US-20190214572-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING ELECTRONTRANSPORT LAYER AND ELECTRON BUFFER LAYER SLC8B1, SLC9A2, SLC9B2 ESR1 264/4885ESR2 425/4885DHODH 2391/4885

“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.