SCHEMBL9839256

SCHEMBL9839256

COc1ccc(C=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
KDM4E B2RXH2 2/20 1.00
MAPT P10636 2/20 1.00
HPGD P15428 2/20 1.00
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
CYP3A4 P08684 2/20 0.55
TSHR P16473 2/20 0.55
CYP1A2 P05177 1/20 0.55
NFKB1 P19838 1/20 0.55
APEX1 P27695 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NQO2 P16083 4/20 0.52
F3 P13726 1/20 0.52
PTGS1 P23219 2/20 0.50
PTGS2 P35354 1/20 0.50
CYP2A6 P11509 1/20 0.50
TUBB1 Q9H4B7 1/20 0.50

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
SCHEMBL14368925 0.94 ALDH1A1 (0.89) ALDH1A1KDM4EMAPTHPGDESR1
SCHEMBL13141933 0.94 KDM4E (0.89) ALDH1A1KDM4EMAPTHPGDESR1
SCHEMBL8049689 0.92 MAPT (0.85) ALDH1A1KDM4EMAPTHPGDESR1
SCHEMBL1304422 0.92 MAPT (0.85) ALDH1A1KDM4EMAPTHPGDESR1
SCHEMBL14823468 0.92 HPGD (0.85) ALDH1A1KDM4EMAPTHPGDESR1
SCHEMBL8049692 0.92 MAPT (0.85) ALDH1A1KDM4EMAPTHPGDESR1
SCHEMBL1304425 0.92 MAPT (0.85) ALDH1A1KDM4EMAPTHPGDESR1
SCHEMBL20012339 0.91 ALDH1A1 (0.82) ALDH1A1KDM4EMAPTHPGDESR1
SCHEMBL15398944 0.91 ALDH1A1 (0.82) ALDH1A1KDM4EMAPTHPGDESR1
SCHEMBL8614831 0.90 ALDH1A1 (0.81) ALDH1A1KDM4EMAPTHPGDESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790241-B2 Reagent for enhancing generation of chemical species Toyo Goesi Co., Ltd. (JP) 2017-10-17 US disclosed
US-9488915-B2 Reagent for enhancing generation of chemical species TOYO GOSEI CO., LTD. (JP) 2016-11-08 US disclosed
US-20160145274-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES TOYO GOSEI CO., LTD. (JP) 2016-05-26 US disclosed
US-20150216876-A1 METHOD FOR TREATING INFLAMMATORY CONDITIONS NOVELMED THERAPEUTICS, INC. 2015-08-06 US disclosed
US-9040507-B2 Method for treating inflammatory conditions NOVELMED THERAPEUTICS, INC. (US) 2015-05-26 US disclosed
US-20150141687-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES OSAKA UNIVERSITY (FIVE PERCENT INTEREST) (JP) 2015-05-21 US disclosed
WO-2009149081-A1 METHOD FOR TREATING INFLAMMATORY CONDITIONS NOVELMED THERAPEUTICS, INC. (US) 2009-12-10 WO disclosed
US-5015666-A With hydroxy or alkoxy substituents on the triarylcyclopropanes Board of Reagents of the University of Oklahoma (US) 1991-05-14 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 (2 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-20160145274-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES CYBB, PPOX, GPX4 ALDH1A1 375/4885KDM4E 4569/4885MAPT 4405/4885
US-20150216876-A1 METHOD FOR TREATING INFLAMMATORY CONDITIONS ESR2, ESRRA, GPER1 ALDH1A1 1201/4885KDM4E 2988/4885MAPT 2458/4885

“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.