SCHEMBL2717792

SCHEMBL2717792

COC(COc1ccc(-c2ccc(-c3ccc(OCC(OC)C4OC4C)cc3)cc2)cc1)C1OC1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
CYP2C9 P11712 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 1/20 0.36
CHRNA7 P36544 1/20 0.35
AAK1 Q2M2I8 2/20 0.35
CYP3A4 P08684 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL2720238 0.87 PPARD (0.34) ALDH1A1HPGDCYP2C9KDM4EPOLB
SCHEMBL2719081 0.83 MRGPRX4 (0.36) CYP2C9L3MBTL1CYP3A4RAB9AMEN1
SCHEMBL13554407 0.69 AAK1 (0.45) ALDH1A1HPGDCYP2C9KDM4EPOLB
SCHEMBL2829748 0.67 TP53 (0.37) ALDH1A1HPGDMAPTTSHRCYP3A4
SCHEMBL20851318 0.65 MAPT (0.58) ALDH1A1HPGDCYP2C9KDM4EPOLB
SCHEMBL7046801 0.65 KDM1A (0.48) MAPTCHRNA7NPC1LMNARAB9A
SCHEMBL20851317 0.63 HPGD (0.70) ALDH1A1HPGDCYP2C9KDM4EPOLB
SCHEMBL12129217 0.63 CYP2C9 (0.44) ALDH1A1HPGDCYP2C9KDM4EPOLB
SCHEMBL2719320 0.63 ALDH1A1 (0.38) ALDH1A1HPGDCYP2C9KDM4EPOLB
SCHEMBL9970932 0.63 ALDH1A1 (0.51) ALDH1A1HPGDCYP2C9KDM4EPOLB

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 8 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-20100144926-A1 EPOXY RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-10 US disclosed
EP-2133379-A1 EPOXY RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed
US-20090054669-A1 Process For Producing Epoxy Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 US disclosed
US-20090018355-A1 Process for Crystallizing an Epoxy Compound SUMITOMO CHEMICAL COMPANY, LTD. 2009-01-15 US disclosed
EP-1995245-A1 METHOD FOR PRODUCING EPOXY COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-11-26 EP disclosed
EP-1995244-A1 METHOD FOR CRYSTALLIZATION OF 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 (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-20090018355-A1 Process for Crystallizing an Epoxy Compound PTGER1, NR5A1, TCP1 ALDH1A1 938/4885HPGD 2304/4885CYP2C9 357/4885
US-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 ALDH1A1 464/4885HPGD 261/4885CYP2C9 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.