SCHEMBL2721147

SCHEMBL2721147

CC(C)(C)c1cc(C2=CCC(c3ccc(O)cc3)=CC2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
ALOX15 P16050 3/20 0.55
LMNA P02545 3/20 0.55
TYR P14679 2/20 0.55
NR1I2 O75469 1/20 0.55
CYP2C9 P11712 1/20 0.55
MIF P14174 1/20 0.55
HTT P42858 1/20 0.55
NFE2L2 Q16236 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
ATP2A2 P16615 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATP2A3 Q93084 1/20 0.39

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
SCHEMBL2720657 0.85 ALDH1A1 (0.56) ALDH1A1ALOX15LMNATYRNR1I2
SCHEMBL2720158 0.85 NR1I2 (0.38) ALDH1A1ALOX15LMNATYRNR1I2
SCHEMBL2718222 0.84 SHBG (0.42) ALDH1A1ALOX15LMNATYRNR1I2
SCHEMBL2721125 0.81 ALDH1A1 (0.69) ALDH1A1ALOX15LMNATYRNR1I2
SCHEMBL1237149 0.81 ALDH1A1 (0.69) ALDH1A1ALOX15LMNATYRNR1I2
SCHEMBL4223711 0.80 CNR2 (0.40) HSP90AA1HSP90AB1
SCHEMBL2830284 0.78 HSD17B1 (0.47) ESR1ESR2TDP1ALOX5QDPR
SCHEMBL3816901 0.77 ALDH1A1 (0.43) ALDH1A1ALOX15LMNATYRNR1I2
SCHEMBL1176397 0.76 ALDH1A1 (0.67) ALDH1A1ALOX15LMNATYRNR1I2
SCHEMBL31146788 0.76 ALDH1A1 (0.67) ALDH1A1ALOX15LMNATYRNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1995245-B1 METHOD FOR PRODUCING EPOXY COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-05-02 EP disclosed
US-20090054669-A1 Process For Producing Epoxy Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 US disclosed
US-20090054484-A1 SUBSTITUTED HETEROARYL BENZOFURAN ACIDS WYETH (US) 2009-02-26 US disclosed
EP-1995245-A1 METHOD FOR PRODUCING EPOXY COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-11-26 EP disclosed
US-7446201-B2 Substituted heteroaryl benzofuran acids WYETH (US) 2008-11-04 US disclosed
EP-1668001-B1 SUBSTITUTED HETEROARYL BENZOFURAN ACIDS WYETH CORP (US) 2008-10-29 EP disclosed
US-20050119296-A1 Substituted heteroaryl benzofuran acids WYETH (US) 2005-06-02 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-20050119296-A1 Substituted heteroaryl benzofuran acids AADAC, CYP3A43, COXFA4L2 ALDH1A1 166/4885ALOX15 632/4885LMNA 1807/4885
US-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 ALDH1A1 464/4885ALOX15 411/4885LMNA 3122/4885
US-20090054484-A1 SUBSTITUTED HETEROARYL BENZOFURAN ACIDS AADAC, CYP3A43, COXFA4L2 ALDH1A1 166/4885ALOX15 632/4885LMNA 1807/4885

“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.