SCHEMBL956170

SCHEMBL956170

CC1=C(/C=C/C(=O)O)C(C)(C)CCC1(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
HAO1 Q9UJM8 1/20 0.38
RXRA P19793 7/20 0.38
RARA P10276 7/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPT P10636 6/20 0.38
RARB P10826 6/20 0.38
RARG P13631 6/20 0.38
PTGS1 P23219 3/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
RORC P51449 2/20 0.38
CYP3A4 P08684 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
MAPK1 P28482 2/20 0.38
HTR2B P41595 2/20 0.38
BLM P54132 2/20 0.38
HIF1A Q16665 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NR4A1 P22736 1/20 0.38

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
SCHEMBL956173 1.00 CYP1A2 (0.55) CYP1A2HAO1RXRARARAALDH1A1
SCHEMBL29401502 0.80 ALDH1A1 (0.67) CYP1A2RXRARARAALDH1A1MAPT
SCHEMBL12492841 0.80 ALDH1A1 (0.67) CYP1A2RXRARARAALDH1A1MAPT
SCHEMBL12492844 0.80 ALDH1A1 (0.67) CYP1A2RXRARARAALDH1A1MAPT
SCHEMBL18472126 0.77 ITGAL (0.42) CYP1A2ALDH1A1MAPTMEN1AR
SCHEMBL958448 0.76 CYP1A2 (0.51) CYP1A2HAO1RXRARARAALDH1A1
SCHEMBL958446 0.76 CYP1A2 (0.51) CYP1A2HAO1RXRARARAALDH1A1
SCHEMBL956507 0.76 MAPT (0.35) CYP1A2ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL956508 0.76 MAPT (0.35) CYP1A2ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL956817 0.76 MAPT (0.35) CYP1A2ALDH1A1MAPTSMN1; SMN2KDM4E

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 4582/4885HAO1 3585/4885RXRA 365/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA CYP1A2 4582/4885HAO1 3585/4885RXRA 365/4885

“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.