SCHEMBL12025752

SCHEMBL12025752

Brc1ccc2c3c(cccc13)-c1cc(-c3ccc4ccccc4c3)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 3/20 0.45
HSD17B10 Q99714 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HPGD P15428 2/20 0.45
CASP1 P29466 2/20 0.45
HIF1A Q16665 2/20 0.45
HKDC1 Q2TB90 1/20 0.44
TP53 P04637 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 2/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL30990840 0.85 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL2198488 0.85 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL16153670 0.83 CYP1A2 (0.50) CYP1A2ALDH1A1MAPK1L3MBTL1HKDC1
SCHEMBL663504 0.80 CYP1A2 (0.63) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL30345509 0.80 CYP1A2 (0.63) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL20698361 0.80 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL12192934 0.80 HSD17B1 (0.47) CYP1A2ALDH1A1HSD17B10TP53HSD17B1
SCHEMBL24871313 0.79 ESR1 (0.48) CYP1A2ALDH1A1HSD17B10TP53HSD17B1
SCHEMBL2164353 0.79 GSTP1 (0.52) CYP1A2ALDH1A1HSD17B10TP53HSD17B1
SCHEMBL29541386 0.79 GSTP1 (0.52) CYP1A2ALDH1A1HSD17B10TP53HSD17B1

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-9126887-B2 Organic electroluminescent element material and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9126887-B2 Organic electroluminescent element material and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-20110303907-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-12-15 US disclosed
US-20110303907-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-12-15 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-20110303907-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME L1CAM, EPCAM, LEF1 CYP1A2 2927/4885ALDH1A1 1636/4885TSHR 4767/4885

“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.