SCHEMBL958446

SCHEMBL958446

CC1=C(/C=C/C(=O)O)C(C)(C)CCC12SCCS2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP26B1 Q9NR63 1/20 0.42
HAO1 Q9UJM8 1/20 0.36
RXRA P19793 8/20 0.36
RARA P10276 7/20 0.36
RARB P10826 6/20 0.36
RARG P13631 6/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 5/20 0.36
PTGS1 P23219 3/20 0.36
RXRB P28702 3/20 0.36
RXRG P48443 2/20 0.36
RORC P51449 2/20 0.36
CYP3A4 P08684 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
MAPK1 P28482 2/20 0.36
HTR2B P41595 2/20 0.36
BLM P54132 2/20 0.36
HIF1A Q16665 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL958448 1.00 CYP1A2 (0.51) CYP1A2CYP26B1HAO1RXRARARA
SCHEMBL956173 0.76 CYP1A2 (0.55) CYP1A2CYP26B1HAO1RXRARARA
SCHEMBL956170 0.76 CYP1A2 (0.55) CYP1A2CYP26B1HAO1RXRARARA
SCHEMBL954746 0.68 CYP1A2 (1.00) CYP1A2HAO1RXRARARARARB
SCHEMBL954744 0.68 CYP1A2 (1.00) CYP1A2HAO1RXRARARARARB
SCHEMBL15609136 0.68 CYP1A2 (1.00) CYP1A2HAO1RXRARARARARB
SCHEMBL954530 0.67 MAPT (0.65) CYP1A2HAO1RXRARARARARB
SCHEMBL954532 0.67 MAPT (0.65) CYP1A2HAO1RXRARARARARB
SCHEMBL956693 0.67 MAPT (0.62) CYP1A2HAO1RXRARARARARB
SCHEMBL956694 0.67 MAPT (0.62) CYP1A2HAO1RXRARARARARB

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 CYP1A2 4582/4885CYP26B1 3019/4885HAO1 3585/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA CYP1A2 4582/4885CYP26B1 3019/4885HAO1 3585/4885

“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.