SCHEMBL2720142

SCHEMBL2720142

CCC(C)(C)c1cc(C2C=CC(c3ccc(O)cc3)C=C2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
MIF P14174 1/20 0.40
TYR P14679 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 9/20 0.38
ESR2 Q92731 6/20 0.37
GAA P10253 1/20 0.32
SHBG P04278 1/20 0.32
AR P10275 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL2718720 0.87 SHBG (0.45) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL4218511 0.85 CNR2 (0.38) ESR1ESR2
SCHEMBL2721176 0.84 ALDH1A1 (0.58) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL4223826 0.81 CYP2C9 (0.37) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL4218476 0.81 ESR2 (0.47) CYP2C9ESR1ESR2
SCHEMBL133971 0.78 ALDH1A1 (0.63) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL30026979 0.78 ALDH1A1 (0.63) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL2717708 0.76 ALOX5 (0.48) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL4217711 0.74 ESR1 (0.43) ESR1ESR2ARHSP90AA1HSP90AB1
SCHEMBL4227496 0.72 ALOX5 (0.42) TYRALOX15HTTESR1ESR2

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
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
EP-1995245-A1 METHOD FOR PRODUCING EPOXY COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-11-26 EP 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-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 ALDH1A1 464/4885NR1I2 273/4885LMNA 3122/4885

“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.