SCHEMBL2720558

SCHEMBL2720558

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.35
NR1I2 O75469 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
MIF P14174 1/20 0.30
TYR P14679 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2717860 0.90 NR1I2 (0.31) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL4217753 0.87 CNR2 (0.34)
SCHEMBL2720650 0.87 ALDH1A1 (0.43) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL2717816 0.79 ESR1 (0.30)
SCHEMBL2830279 0.78 HSD17B1 (0.38) ALDH1A1
SCHEMBL4215878 0.77 TYR (0.40) TYRALOX15HTT
SCHEMBL2717610 0.77 RORC (0.37) ALDH1A1ALOX15HSD17B10
SCHEMBL2717925 0.76 KDM1A (0.38) CYP2C9
SCHEMBL4216071 0.76 SHBG (0.41) SHBGNR1I2ALDH1A1LMNACYP2C9
SCHEMBL4218908 0.76 ALOX5 (0.41) TYR

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 SHBG 2251/4885NR1I2 273/4885ALDH1A1 464/4885

“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.