SCHEMBL2718010

SCHEMBL2718010

CC(C)(C)c1cc(C2CCC(c3ccc(O)cc3)CC2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.56
ALDH1A1 P00352 2/20 0.56
ALOX15 P16050 2/20 0.56
NR1I2 O75469 1/20 0.56
LMNA P02545 1/20 0.56
MIF P14174 1/20 0.56
TYR P14679 1/20 0.56
HTT P42858 1/20 0.56
NFE2L2 Q16236 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ESR2 Q92731 15/20 0.53
ESR1 P03372 6/20 0.46
CYP3A4 P08684 2/20 0.46
QDPR P09417 2/20 0.42
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
ATP2A2 P16615 1/20 0.41

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
SCHEMBL3807478 1.00 CYP2C9 (0.56) CYP2C9ALDH1A1ALOX15NR1I2LMNA
SCHEMBL3809639 1.00 CYP2C9 (0.56) CYP2C9ALDH1A1ALOX15NR1I2LMNA
SCHEMBL3009268 0.86 ACMSD (0.51) CYP2C9ALDH1A1ALOX15NR1I2LMNA
SCHEMBL21630427 0.85 ACMSD (0.53) CYP2C9ALDH1A1ALOX15NR1I2LMNA
SCHEMBL156312 0.85 ACMSD (0.53) CYP2C9ALDH1A1ALOX15NR1I2LMNA
SCHEMBL3817117 0.85 ESR2 (0.55) CYP2C9ALDH1A1TYRESR2ESR1
SCHEMBL4218476 0.84 ESR2 (0.47) CYP2C9ESR2ESR1CYP3A4CYP2D6
SCHEMBL2720089 0.83 ESR2 (0.46) CYP2C9ALDH1A1ALOX15NR1I2LMNA
SCHEMBL3807786 0.83 ESR2 (0.49) CYP2C9ALDH1A1ALOX15NR1I2LMNA
SCHEMBL3812417 0.81 ESR2 (0.48) CYP2C9ALDH1A1ALOX15NR1I2LMNA

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 9 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
EP-1375461-B1 DIPHENOL AND PROCESS FOR PRODUCING THE SAME HONSHU CHEMICAL IND (JP) 2009-08-05 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
US-6893794-B2 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-6872858-B2 Diphenol and process for producing the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2005-03-29 US disclosed
US-20040049086-A1 Diphenol and process for producing the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2004-03-11 US disclosed
US-20040018445-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-01-29 US disclosed
EP-1375461-A1 DIPHENOL AND PROCESS FOR PRODUCING THE SAME Honshu Chemical Industry Co. Ltd. (JP) 2004-01-02 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 (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-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 CYP2C9 669/4885ALDH1A1 464/4885ALOX15 411/4885
US-20040049086-A1 Diphenol and process for producing the same CYP1A1, AHR, CYP2E1 CYP2C9 140/4885ALDH1A1 1259/4885ALOX15 659/4885

“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.