SCHEMBL295975

SCHEMBL295975

Cc1cc(C(C)(C)C)c(OC(=O)C2CC2C)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 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
SCHEMBL2126900 0.82 ALDH1A1 (0.35) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL2129348 0.82 VCAM1 (0.36) SMN1; SMN2
SCHEMBL3999963 0.81 ATM (0.48) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL295477 0.77 ALDH1A1 (0.38) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL6412674 0.76 ELANE (0.33)
SCHEMBL8407409 0.74 ALDH1A1 (0.48) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL6408936 0.74 VCAM1 (0.36) SMN1; SMN2
SCHEMBL17171717 0.73 ALDH1A1 (0.44) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL6408121 0.73 CHRNA7 (0.35)
SCHEMBL8094382 0.71 ALDH1A1 (0.45) ALDH1A1CA2POLBTYRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1683783-B1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2012-03-14 EP disclosed
EP-1683782-B1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2012-03-14 EP disclosed
EP-1120402-B1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2008-06-25 EP disclosed
EP-1683782-A2 Chiral copper complex and production processes thereof and using the same Sumitomo Chemical Company, Limited (JP) 2006-07-26 EP disclosed
EP-1683783-A2 Chiral copper complex and production processes thereof and using the same Sumitomo Chemical Company, Limited (JP) 2006-07-26 EP disclosed
US-20050090684-A1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO., LTD. 2005-04-28 US disclosed
US-6670500-B2 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-30 US disclosed
US-6469198-B2 OBTAINED BY CONTACTING N-SALICYLIDENEAMINOALCOHOL WITH MONO OR DIVALENT COPPER COMPOUND; FORMATION OF OPTICALLY ACTIVE CYCLOPROPANE-CARBOXYLIC ESTER FROM PROCHIRAL OLEFIN AND DIAZOACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-22 US disclosed
US-20020004618-A1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-10 US disclosed
US-20010037036-A1 Chiral copper complex catalyst composition and asymmetric production process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-01 US disclosed
EP-1120402-A2 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-01 EP disclosed
EP-1120401-A2 Chiral copper complex catalyst composition and asymmetric production process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-01 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 (3 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-20050090684-A1 Chiral copper complex and production processes thereof and using the same SOD1, CYP1A1, NFXL1 KDM4E 3764/4885ALDH1A1 16/4885CA2 552/4885
US-20010037036-A1 Chiral copper complex catalyst composition and asymmetric production process using the same AP1M1, UBA3, AP1S1 KDM4E 3086/4885ALDH1A1 254/4885CA2 630/4885
US-20020004618-A1 Chiral copper complex and production processes thereof and using the same SOD1, XDH, NFXL1 KDM4E 3518/4885ALDH1A1 19/4885CA2 516/4885

“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.