SCHEMBL958898

SCHEMBL958898

COC(=O)C=CC1=C(C)C(=O)CCC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
ALOX15 P16050 2/20 0.58
CYP1A2 P05177 2/20 0.41
HAO1 Q9UJM8 1/20 0.39
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TYR P14679 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TRPA1 O75762 1/20 0.34
RXRA P19793 5/20 0.33
ALDH1A1 P00352 5/20 0.33
RARA P10276 4/20 0.33
RARB P10826 4/20 0.33
RARG P13631 4/20 0.33

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
SCHEMBL958897 1.00 MAPT (0.58) MAPTALOX15CYP1A2HAO1KEAP1
SCHEMBL8390312 0.83 MAPT (0.67) MAPTALOX15CYP1A2HAO1RXRA
SCHEMBL8390315 0.83 MAPT (0.67) MAPTALOX15CYP1A2HAO1RXRA
SCHEMBL956694 0.83 MAPT (0.62) MAPTALOX15CYP1A2HAO1RXRA
SCHEMBL956693 0.83 MAPT (0.62) MAPTALOX15CYP1A2HAO1RXRA
SCHEMBL4389190 0.81 MAPT (0.76) MAPTALOX15CYP1A2RXRAALDH1A1
SCHEMBL4389183 0.81 MAPT (0.76) MAPTALOX15CYP1A2RXRAALDH1A1
SCHEMBL7088911 0.81 MAPT (0.76) MAPTALOX15CYP1A2RXRAALDH1A1
SCHEMBL17769829 0.81 MAPT (0.76) MAPTALOX15CYP1A2RXRAALDH1A1
SCHEMBL9840327 0.79 MAPT (0.58) MAPTALOX15CYP1A2HAO1RXRA

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
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

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 MAPT 741/4885ALOX15 4274/4885CYP1A2 4582/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA MAPT 741/4885ALOX15 4274/4885CYP1A2 4582/4885

“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.