SCHEMBL3338726

SCHEMBL3338726

COc1ccc(CCONC(=O)C(Cl)(Cl)Cl)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
ATM Q13315 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.47
CA5A P35218 1/20 0.47
CA14 Q9ULX7 1/20 0.47
POLB P06746 1/20 0.47
CYP19A1 P11511 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
CNR1 P21554 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL3343403 0.79 LDHA (0.51) CA12CA1CA2CA9ATM
SCHEMBL2794511 0.77 ALDH1A1 (0.69) KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL28003037 0.75 ATM (0.59) CA12CA1CA2CA9ATM
SCHEMBL12204201 0.73 ATM (0.49) CA12CA1CA2CA9ATM
SCHEMBL1323237 0.73 MAPT (0.49) CA12CA1CA2CA9ATM
SCHEMBL16481768 0.73 ATM (0.53) CA12CA1CA2CA9ATM
SCHEMBL27806086 0.72 APP (0.55) CA12CA1CA2CA9ATM
SCHEMBL269005 0.71 NPC1 (0.61) CA12CA1CA2CA9ATM
SCHEMBL28176844 0.71 KDM4E (0.62) CA12CA1CA2CA9ATM
SCHEMBL1032004 0.71 KDM4E (0.62) CA12CA1CA2CA9ATM

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 7 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

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 CA12 3906/4885CA1 2479/4885CA2 4608/4885
US-20150336887-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 CA12 3906/4885CA1 2479/4885CA2 4608/4885
US-20100152464-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 CA12 3906/4885CA1 2479/4885CA2 4608/4885

“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.