SCHEMBL293438

SCHEMBL293438

CC(C)COC(=O)C1CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 2/20 0.36
EPHX2 P34913 1/20 0.35
LMNA P02545 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS1 P23219 1/20 0.32
APEX1 P27695 1/20 0.32
THPO P40225 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL1578051 0.79 TSHR (0.40) TSHRALDH1A1RAB9AEPHX2LMNA
SCHEMBL294716 0.77 LMNA (0.43) ALDH1A1LMNAMEN1CYP3A4CYP2C9
SCHEMBL1297720 0.74 TSHR (0.45) TSHRALDH1A1RAB9AEPHX2LMNA
SCHEMBL294867 0.73 PPM1B (0.42) ALDH1A1EPHX2
SCHEMBL7104141 0.73 ALDH1A1 (0.50) TSHRALDH1A1RAB9ALMNAHSP90AA1
SCHEMBL11037512 0.73 TSHR (0.34) TSHRALDH1A1RAB9AEPHX2LMNA
SCHEMBL1297889 0.72 TSHR (0.43) TSHRALDH1A1RAB9AEPHX2LMNA
SCHEMBL6141274 0.72 ADRB2 (0.45) TSHRALDH1A1RAB9ALMNACHRM2
SCHEMBL27296220 0.72 TSHR (0.43) TSHRALDH1A1RAB9AEPHX2LMNA
SCHEMBL1196568 0.72 ADRB2 (0.45) TSHRALDH1A1RAB9ALMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131052-A1 Amelioration Of The Development Of Cataracts And Other Ophthalmic Diseases MATIER WILLIAM L (US) 2013-05-23 US disclosed
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-7009079-B2 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-07 US 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 (4 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 TSHR 1375/4885ALDH1A1 16/4885RAB9A 3308/4885
US-20010037036-A1 Chiral copper complex catalyst composition and asymmetric production process using the same AP1M1, UBA3, AP1S1 TSHR 4320/4885ALDH1A1 254/4885RAB9A 2923/4885
US-20130131052-A1 Amelioration Of The Development Of Cataracts And Other Ophthalmic Diseases C3AR1, C1R, AKR1C3 TSHR 246/4885ALDH1A1 756/4885RAB9A 866/4885
US-20020004618-A1 Chiral copper complex and production processes thereof and using the same SOD1, XDH, NFXL1 TSHR 2499/4885ALDH1A1 19/4885RAB9A 3043/4885

“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.