SCHEMBL954530

SCHEMBL954530

CC1=C(/C=C/C(=O)O)C(C)(C)CCC1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
ALDH1A1 P00352 5/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
CYP1A2 P05177 2/20 0.55
RARA P10276 7/20 0.40
CYP26A1 O43174 2/20 0.40
HAO1 Q9UJM8 1/20 0.38
RXRA P19793 6/20 0.38
RARB P10826 5/20 0.38
RARG P13631 5/20 0.38
PTGS1 P23219 3/20 0.38
HIF1A Q16665 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

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
SCHEMBL954532 1.00 MAPT (0.65) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL8011547 0.87 MAPT (0.61) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL8011545 0.87 MAPT (0.61) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL960365 0.86 CYP1A2 (0.51) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL1594905 0.81 CYP1A2 (0.50) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL1594908 0.81 CYP1A2 (0.50) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL12296123 0.80 MAPT (0.55) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL954948 0.80 MAPT (0.52) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL954946 0.80 MAPT (0.52) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL23356521 0.80 ALDH1A1 (1.00) MAPTALDH1A1SMN1; SMN2CYP1A2RARA

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 741/4885ALDH1A1 2958/4885SMN1; SMN2 2172/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA MAPT 741/4885ALDH1A1 2958/4885SMN1; SMN2 2172/4885

“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.