SCHEMBL20127732

SCHEMBL20127732

c1cc(-c2c3ccccc3c(-c3cc4oc5ccc6ccccc6c5c4c4ccccc34)c3ccccc23)cc(-c2cc3ccccc3c3ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.40
ABCG2 Q9UNQ0 4/20 0.40
CYP1A2 P05177 3/20 0.40
FYN P06241 2/20 0.40
PAX8 Q06710 2/20 0.40
CYP1A1 P04798 1/20 0.40
MAPK3 P27361 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 2/20 0.39
HIF1A Q16665 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP11B1 P15538 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL22541898 0.91 AHR (0.39) AHRABCG2CYP1A2FYNPAX8
SCHEMBL20127331 0.90 AHR (0.42) AHRABCG2CYP1A2FYNPAX8
SCHEMBL20127722 0.90 ABCG2 (0.39) AHRABCG2CYP1A2FYNPAX8
SCHEMBL20127339 0.89 HSD17B10 (0.43) AHRABCG2CYP1A2FYNPAX8
SCHEMBL20127337 0.88 ABCG2 (0.46) AHRABCG2CYP1A2FYNPAX8
SCHEMBL20416572 0.88 AHR (0.37) AHRABCG2CYP1A2FYNPAX8
SCHEMBL20127730 0.87 ABCG2 (0.40) AHRABCG2CYP1A2FYNPAX8
SCHEMBL20127315 0.87 ABCG2 (0.40) AHRABCG2CYP1A2FYNPAX8
SCHEMBL24236310 0.87 CYP11B1 (0.39) AHRCYP1A2FYNALDH1A1HSD17B10
SCHEMBL24236116 0.87 CYP11B1 (0.39) AHRCYP1A2FYNALDH1A1HSD17B10

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-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 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-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE RER1, NR0B1, NR2E1 AHR 2558/4885ABCG2 3284/4885CYP1A2 821/4885

“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.