SCHEMBL20172797

SCHEMBL20172797

Cc1ccccc1N(C)c1cccc2c1oc1c(C)cccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PRKDC P78527 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
HSD17B1 P14061 3/20 0.32
HSD17B2 P37059 2/20 0.32
ESR2 Q92731 1/20 0.32
C5AR1 P21730 1/20 0.32

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
SCHEMBL20172802 0.87 ACHE (0.37) CYP2A6CYP1A2ALDH1A1SIGMAR1HSD17B1
SCHEMBL20172800 0.87 ACHE (0.37) MCL1CYP2A6CYP1A2ALDH1A1MAOA
SCHEMBL20172791 0.87 PGR (0.40) ALDH1A1MAOA
SCHEMBL26785712 0.87 MCL1 (0.41) MCL1CYP2A6CYP1A2MAOAMAOB
SCHEMBL20172855 0.86 ALDH1A1 (0.32) CYP2A6CYP1A2ALDH1A1
SCHEMBL23967662 0.86 CYP1A2 (0.38) MCL1CYP2A6CYP1A2ALDH1A1PRKDC
SCHEMBL20172796 0.86 MCL1 (0.35) MCL1CYP2A6CYP1A2ALDH1A1PRKDC
SCHEMBL20172795 0.85 GPR55 (0.38) MCL1CYP2A6CYP1A2ALDH1A1MAOA
SCHEMBL21021443 0.85 GLA (0.36) ALDH1A1
SCHEMBL21019996 0.85 SIGMAR1 (0.35) CYP2A6CYP1A2ALDH1A1SIGMAR1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 MCL1 1592/4885CYP2A6 499/4885CYP1A2 356/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 MCL1 2135/4885CYP2A6 433/4885CYP1A2 563/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 MCL1 1592/4885CYP2A6 499/4885CYP1A2 356/4885

“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.