SCHEMBL3343652

SCHEMBL3343652

COc1ccc(CC=O)cc1OC.[NaH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
PPARG P37231 1/20 0.67
PPARD Q03181 1/20 0.67
PPARA Q07869 1/20 0.67
CA2 P00918 1/20 0.61
KDM4E B2RXH2 3/20 0.53
ATM Q13315 2/20 0.53
PTGS1 P23219 1/20 0.53
TSHR P16473 1/20 0.52
LDHA P00338 1/20 0.51
CYP3A4 P08684 2/20 0.50
POLB P06746 2/20 0.50
CYP19A1 P11511 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TUBB1 Q9H4B7 1/20 0.48

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
SCHEMBL30644304 0.98 ALDH1A1 (0.69) ALDH1A1PPARGPPARDPPARACA2
SCHEMBL557409 0.98 ALDH1A1 (0.69) ALDH1A1PPARGPPARDPPARACA2
SCHEMBL20615143 0.85 CALM1 (0.58) ALDH1A1PPARGPPARDPPARACA2
SCHEMBL23375947 0.84 ALDH1A1 (0.53) ALDH1A1PPARGPPARDPPARACA2
SCHEMBL5978889 0.84 ALDH1A1 (0.53) ALDH1A1PPARGPPARDPPARACA2
SCHEMBL11911908 0.83 ALDH1A1 (0.71) ALDH1A1PPARGPPARDPPARACA2
SCHEMBL11911904 0.83 ALDH1A1 (0.71) ALDH1A1PPARGPPARDPPARACA2
SCHEMBL15174299 0.83 ALDH1A1 (0.51) ALDH1A1PPARGPPARDPPARACA2
SCHEMBL4775183 0.83 MEN1 (0.53) ALDH1A1PPARGPPARDPPARACA2
SCHEMBL195794 0.82 ALDH1A1 (0.50) ALDH1A1PPARGPPARDPPARACA2

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
US-9586899-B2 Synthetic process for aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2017-03-07 US disclosed
US-20150336887-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CORREVIO CANADA CORP. (CA) 2015-11-26 US disclosed
US-9115081-B2 Synthetic process for aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2015-08-25 US disclosed
US-20130102791-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2013-04-25 US disclosed
US-20100152464-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2010-06-17 US disclosed
EP-1828099-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS Cardimone Pharma Corporation (CA) 2007-09-05 EP disclosed
WO-2006088525-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2006-08-24 WO disclosed
CN-1309959-A Cosmetic or dermatological sunscreen preparation BASF AG (DE) 2001-08-29 CN 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-20130102791-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 ALDH1A1 3196/4885PPARG 1721/4885PPARD 1995/4885
US-20150336887-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 ALDH1A1 3196/4885PPARG 1721/4885PPARD 1995/4885
US-20100152464-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 ALDH1A1 3196/4885PPARG 1721/4885PPARD 1995/4885

“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.