SCHEMBL958827

SCHEMBL958827

C[C@H]1CCCC(C)(C)[C@H]1C=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
EPHX1 P07099 1/20 0.30
TRPA1 O75762 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL958781 1.00 CA1 (0.31) CA1CA2CA4EPHX1TRPA1
SCHEMBL4608681 1.00 CA1 (0.31) CA1CA2CA4EPHX1TRPA1
SCHEMBL20930020 1.00 CA1 (0.31) CA1CA2CA4EPHX1TRPA1
SCHEMBL8204015 1.00 CA1 (0.31) CA1CA2CA4EPHX1TRPA1
SCHEMBL1276250 1.00 CA1 (0.31) CA1CA2CA4EPHX1TRPA1
SCHEMBL20930152 1.00 CA1 (0.31) CA1CA2CA4EPHX1TRPA1
SCHEMBL696325 0.86 CYP1A2 (0.33)
SCHEMBL9240986 0.82
SCHEMBL7941765 0.82
SCHEMBL9240998 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3100723-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20170037018-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS INC. (US) 2017-02-09 US disclosed
US-9562022-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS, INC. (US) 2017-02-07 US disclosed
EP-3100723-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2016-12-07 EP disclosed
EP-2442644-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2016-08-10 EP disclosed
EP-2442644-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2012-04-25 EP disclosed
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. 2011-01-06 US disclosed
WO-2010147653-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
EP-1347035-B1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition TAKASAGO PERFUMERY CO LTD (JP) 2008-07-23 EP disclosed
EP-1347036-B1 Isomer composition excellent in chemical resistance containing optically active trans-1(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance composition containing the isomer composition TAKASAGO PERFUMERY CO LTD (JP) 2008-06-25 EP disclosed
EP-0449034-B1 Cyclic ketones, method for their preparation and their application in perfumery FIRMENICH & CIE (CH) 1994-12-28 EP disclosed
US-5118865-A CYCLIC KETONES AND THEIR USE AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 1992-06-02 US disclosed
EP-0449034-A1 Cyclic ketones, method for their preparation and their application in perfumery FIRMENICH SA (CH) 1991-10-02 EP disclosed
EP-0118809-B1 COMPOSITION ESSENTIALLY CONSISTING OF TRANS-1-(2,6,6-TRIMETHYLCYCLOHEXYL)-HEXAN-3-OL, UTILIZATION OF SAME AND PROCESS FOR ITS PREPARATION; CYCLOALIPHATIC KETONE AND ALCOHOL INTERMEDIATES FIRMENICH SA (CH) 1988-05-11 EP disclosed
US-4711875-A PERFUMES FIRMENICH SA (CH) 1987-12-08 US disclosed
US-4623750-A PERFUMES FIRMENICH SA (CH) 1986-11-18 US disclosed
EP-0118809-A2 Composition essentially consisting of trans-1-(2,6,6-trimethylcyclohexyl)-hexan-3-ol, utilization of same and process for its preparation; cycloaliphatic ketone and alcohol intermediates FIRMENICH SA (CH) 1984-09-19 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-20170037018-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, UACA CA1 4482/4885CA2 2704/4885CA4 4181/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA CA1 4482/4885CA2 2704/4885CA4 4181/4885

“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.