SCHEMBL958504

SCHEMBL958504

CC1=C(/C=C/C(=O)N2CCCN(C(=O)O)CC2)C(C)(C)CCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
HAO1 Q9UJM8 1/20 0.54
RBP4 P02753 1/20 0.52
ALDH1A1 P00352 7/20 0.50
RXRA P19793 7/20 0.50
RARA P10276 6/20 0.50
RARB P10826 6/20 0.50
RARG P13631 6/20 0.50
MAPT P10636 5/20 0.50
PTGS1 P23219 4/20 0.50
CYP3A4 P08684 4/20 0.50
RXRB P28702 3/20 0.50
RXRG P48443 3/20 0.50
RORC P51449 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
MAPK1 P28482 2/20 0.50
HTR2B P41595 2/20 0.50
BLM P54132 2/20 0.50
HIF1A Q16665 2/20 0.50
DRD3 P35462 2/20 0.50

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
SCHEMBL958024 1.00 CYP1A2 (0.62) CYP1A2HAO1RBP4ALDH1A1RXRA
SCHEMBL958357 0.97 CYP1A2 (0.65) CYP1A2HAO1RBP4ALDH1A1RXRA
SCHEMBL958358 0.97 CYP1A2 (0.65) CYP1A2HAO1RBP4ALDH1A1RXRA
SCHEMBL21088437 0.91 CYP1A2 (0.66) CYP1A2HAO1RBP4ALDH1A1RXRA
SCHEMBL954423 0.90 CYP1A2 (0.58) CYP1A2HAO1RBP4ALDH1A1RXRA
SCHEMBL954425 0.90 CYP1A2 (0.58) CYP1A2HAO1RBP4ALDH1A1RXRA
SCHEMBL956281 0.89 CYP1A2 (0.64) CYP1A2HAO1RBP4ALDH1A1RXRA
SCHEMBL956279 0.89 CYP1A2 (0.64) CYP1A2HAO1RBP4ALDH1A1RXRA
SCHEMBL955099 0.89 CYP1A2 (0.57) CYP1A2HAO1RBP4ALDH1A1RXRA
SCHEMBL956586 0.89 CYP1A2 (0.57) CYP1A2HAO1RBP4ALDH1A1RXRA

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 7 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 claimed
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
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. 2011-01-06 US 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 3585/4885RBP4 25/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA CYP1A2 4582/4885HAO1 3585/4885RBP4 25/4885

“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.