SCHEMBL10296325

SCHEMBL10296325

Brc1ccc(-c2cccc(-c3cccc4ccccc34)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA9 Q16790 5/20 0.53
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
MCL1 Q07820 2/20 0.46
ACMSD Q8TDX5 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL30103843 1.00 CA12 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL2163844 0.91 CA12 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL15678825 0.91 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL24054594 0.91 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL12745170 0.91 CA12 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL29490135 0.89 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL3775154 0.89 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL2497841 0.88 CYP2A6 (0.50) CA12CA1CA2CA9MCL1
SCHEMBL15197467 0.88 CA12 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL14981729 0.87 BIRC5 (0.47) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117157276-A Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2023-12-01 CN disclosed
WO-2023085606-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-05-19 WO disclosed
EP-2471772-B1 MONOAMINE COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION FOR CHARGE TRANSPORT FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING MITSUBISHI CHEM CORP (JP) 2019-04-17 EP disclosed
EP-3121165-B1 MONOAMINE COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION FOR CHARGE TRANSPORT FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING MITSUBISHI CHEM CORP (JP) 2019-04-17 EP disclosed
US-9985214-B2 Monoamine compound, charge transport material, composition for charge transport film, organic electroluminescent element, organic EL display, and organic EL lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2018-05-29 US disclosed
US-9985214-B2 Monoamine compound, charge transport material, composition for charge transport film, organic electroluminescent element, organic EL display, and organic EL lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2018-05-29 US disclosed
EP-3121165-A1 MONOAMINE COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION FOR CHARGE TRANSPORT FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING Mitsubishi Chemical Corporation (JP) 2017-01-25 EP disclosed
US-20140330025-A1 MONOAMINE COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION FOR CHARGE TRANSPORT FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-06 US disclosed
US-20140330025-A1 MONOAMINE COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION FOR CHARGE TRANSPORT FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-06 US disclosed
US-8828558-B2 Monoamine compound, charge transport material, composition for charge transport film, organic electroluminescent element, organic EL display, and organic EL lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2014-09-09 US disclosed
US-8828558-B2 Monoamine compound, charge transport material, composition for charge transport film, organic electroluminescent element, organic EL display, and organic EL lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2014-09-09 US disclosed
US-20120205635-A1 MONOAMINE COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION FOR CHARGE TRANSPORT FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-16 US disclosed
US-20120205635-A1 MONOAMINE COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION FOR CHARGE TRANSPORT FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-16 US disclosed
EP-2471772-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, COMPOSITION FOR CHARGE-TRANSPORTING FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE AND ORGANIC EL LIGHTING Mitsubishi Chemical Corporation (JP) 2012-07-04 EP 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 (1 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-20120205635-A1 MONOAMINE COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION FOR CHARGE TRANSPORT FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING SLC18A1, SLC18A2, SLC6A2 CA12 3183/4885CA1 3111/4885CA2 2621/4885

“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.