SCHEMBL4789564

SCHEMBL4789564

COc1ccc2ccc3c4cc(OC)ccc4ccc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2A6 P11509 1/20 0.56
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 1/20 0.52
GFER P55789 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
STAT1 P42224 1/20 0.50
HNF4A P41235 1/20 0.49
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48

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
SCHEMBL19382614 0.95 CYP1A2 (0.61) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL17133046 0.87 ALDH1A1 (0.58) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL17133042 0.87 ALDH1A1 (0.58) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL12269009 0.86 CYP2A6 (0.58) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL3137389 0.85 CYP2A6 (0.62) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL12277498 0.85 CYP2A6 (0.62) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL12259995 0.85 CYP2A6 (0.62) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL29112153 0.84 CYP1A2 (0.49) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL31340104 0.84 CYP1A2 (0.52) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL12277726 0.84 CYP2A6 (0.56) CYP1A2CYP2A6KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8963128-B2 Compound for organic thin film transistor and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-02-24 US disclosed
US-20110180790-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-07-28 US disclosed
WO-2008137599-A2 2-ALKOXYESTRADIOL ANALOGS AND PHARMACEUTICAL PREPARATIONS EVESTRA, INC. (US) 2008-11-13 WO 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-20110180790-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME TCF4, CDH1, RCOR1 CYP1A2 954/4885CYP2A6 1224/4885KDM4E 1342/4885

“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.