SCHEMBL14879860

SCHEMBL14879860

CC1=C(C(=O)CC(O)C(C)(C)C)C(C)(C)CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.37
▸ HAO1 Q9UJM8 1/20 0.35
▸ GRIK1 P39086 2/20 0.34
▸ GRIK2 Q13002 1/20 0.34
▸ RXRA P19793 7/20 0.31
▸ RARB P10826 7/20 0.31
▸ RARG P13631 6/20 0.30
▸ RARA P10276 5/20 0.30
▸ ALDH1A1 P00352 4/20 0.30
▸ MAPT P10636 4/20 0.30
▸ PTGS1 P23219 3/20 0.30
▸ RXRB P28702 2/20 0.30
▸ RXRG P48443 2/20 0.30
▸ RORC P51449 2/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ ADORA3 P0DMS8 2/20 0.30
▸ MAPK1 P28482 2/20 0.30
▸ HTR2B P41595 2/20 0.30
▸ BLM P54132 2/20 0.30
▸ HIF1A Q16665 2/20 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
SCHEMBL14879927 0.84 CYP1A2 (0.38) CYP1A2HAO1GRIK1GRIK2RXRA
SCHEMBL11316448 0.83 CYP1A2 (0.40) CYP1A2HAO1GRIK1GRIK2RXRA
SCHEMBL26733276 0.81 CYP1A2 (0.41) CYP1A2HAO1GRIK1GRIK2RXRA
SCHEMBL11851829 0.79 CYP1A2 (0.39) CYP1A2HAO1GRIK1GRIK2RXRA
SCHEMBL18308880 0.78 CYP1A2 (0.41) CYP1A2HAO1RXRARARBRARG
SCHEMBL20446707 0.77 CYP1A2 (0.40) CYP1A2HAO1GRIK1GRIK2RXRA
SCHEMBL10807261 0.77 CYP1A2 (0.40) CYP1A2HAO1GRIK1GRIK2RXRA
SCHEMBL17129798 0.76 CYP1A2 (0.44) CYP1A2HAO1GRIK1RXRARARB
SCHEMBL16863841 0.75 CYP1A2 (0.36) CYP1A2HAO1GRIK1GRIK2RXRA
SCHEMBL14879980 0.75 RXRA (0.38) CYP1A2HAO1RXRARARBRARG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768307-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2020-03-18 — — EP disclosed
US-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2017-05-18 — — US disclosed
US-9499464-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS, INC. (US) 2016-11-22 — — US disclosed
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS, INC. (US) 2014-09-11 — — US disclosed
EP-2768307-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2014-08-27 — — EP disclosed
WO-2013058809-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2013-04-25 — — 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-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE CRYAB, CRYAA, PDE6C CYP1A2 4420/4885HAO1 2734/4885GRIK1 1615/4885
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, PDE6C, CRYAA CYP1A2 4370/4885HAO1 2697/4885GRIK1 1823/4885

“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.

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