SCHEMBL960113

SCHEMBL960113

CC1(C)CCCC(C)(C)C1C=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
IDO1 P14902 1/20 0.33
UGT2B7 P16662 1/20 0.32
PTGS2 P35354 1/20 0.31
PIK3CA P42336 1/20 0.30
PIK3CG P48736 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
SCHEMBL9617202 0.88 PTGS2 (0.33) PTGS2
SCHEMBL4400746 0.84 PTGS2 (0.38) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10536103 0.72
SCHEMBL1785386 0.69
SCHEMBL956391 0.67 UGT2B7 (0.51) UGT2B7
SCHEMBL20245300 0.67 PTPN2 (0.48) UGT2B7
SCHEMBL1233179 0.67 UGT2B7 (0.34) UGT2B7
SCHEMBL6747801 0.67
SCHEMBL14248522 0.67 TRPA1 (0.32) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14142961 0.67 TRPA1 (0.32) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4

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 11 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-0324111-B1 PROCESS FOR THE PREPARATION OF CYCLOALIPHATIC ALDEHYDES FIRMENICH SA (CH) 1992-09-09 EP disclosed
US-4922027-A ACID CYCLIZATION OF ENOL ESTERS FIRMENICH SA (CH) 1990-05-01 US disclosed
EP-0324111-A2 Process for the preparation of cycloaliphatic aldehydes FIRMENICH SA (CH) 1989-07-19 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 TRPA1 931/4885CHRNB2 343/4885CHRNB4 439/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA TRPA1 931/4885CHRNB2 343/4885CHRNB4 439/4885

“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.