SCHEMBL13820837

SCHEMBL13820837

Ic1c(-c2ccccc2)c2cc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4cc5ccccc5c5ccccc45)c3cc2c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.41
▸ ALOX5 P09917 1/20 0.39
▸ SOS1 Q07889 1/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ GPR84 Q9NQS5 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MPI P34949 1/20 0.37
▸ RECQL P46063 1/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ ESR1 P03372 3/20 0.35
▸ ESR2 Q92731 3/20 0.35

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
SCHEMBL13016379 0.83 CYP11B1 (0.45) CYP11B1ALOX5MEN1KMT2AKDM4E
SCHEMBL9612425 0.83 ESR1 (0.49) ALOX5MEN1KMT2AKDM4EHPGD
SCHEMBL19181278 0.83 CYP11B1 (0.50) CYP11B1ALOX5SOS1MEN1KMT2A
SCHEMBL13016388 0.81 CYP11B1 (0.46) CYP11B1ALOX5MEN1KMT2AKDM4E
SCHEMBL13016375 0.79 ESR1 (0.45) KDM4EGPR84HPGDALDH1A1MAPT
SCHEMBL2966644 0.77 ALDH1A1 (0.52) CYP11B1SOS1MEN1KMT2AHPGD
SCHEMBL13820295 0.77 CYP11B1 (0.37) CYP11B1ALOX5SOS1MEN1KMT2A
SCHEMBL28638125 0.75 RXFP1 (0.48) CYP11B1ALOX5SOS1MEN1KMT2A
SCHEMBL18431621 0.75 HPRT1 (0.41) CYP11B1SOS1MEN1KMT2AHPGD
SCHEMBL27047119 0.75 HPRT1 (0.52) CYP11B1SOS1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120286251-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2012-11-15 — — US disclosed
US-20120286251-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2012-11-15 — — 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 (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-20120286251-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, OR51E2 CYP11B1 613/4885ALOX5 1293/4885SOS1 206/4885

“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.

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