SCHEMBL4222706

SCHEMBL4222706

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 12/20 0.41
CNR2 P34972 2/20 0.33
CYP2C9 P11712 2/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
NR1I2 O75469 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MIF P14174 1/20 0.31
TYR P14679 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD3 P35462 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
SCHEMBL4221162 0.90 ESR2 (0.40) ESR2CYP2C9ESR1CYP3A4NR1I2
SCHEMBL4220078 0.88 CNR2 (0.38) ESR2CNR2
SCHEMBL3816901 0.88 ALDH1A1 (0.43) ESR2CYP2C9ESR1NR1I2ALDH1A1
SCHEMBL2719243 0.81 ESR2 (0.45) ESR2CYP2C9ESR1CYP3A4
SCHEMBL503351 0.79 ESR2 (0.44) ESR2ESR1CYP3A4
SCHEMBL3808060 0.79 ESR2 (0.43) ESR2CYP2C9ESR1CYP3A4DRD2
SCHEMBL2720158 0.79 NR1I2 (0.38) ESR2CYP2C9ESR1NR1I2ALDH1A1
SCHEMBL2721633 0.78 ESR2 (0.57) ESR2CYP2C9ESR1CYP3A4
SCHEMBL3809669 0.78 ESR2 (0.42) ESR2CYP2C9ESR1CYP3A4DRD2
SCHEMBL4218476 0.78 ESR2 (0.47) ESR2CNR2CYP2C9ESR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054669-A1 Process For Producing Epoxy Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 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 (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 ESR2 4/4885CNR2 644/4885CYP2C9 669/4885

“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.