SCHEMBL955726

SCHEMBL955726

[2H]C1(OC(C)=O)CCC(C)(C)C(C=CC(=O)O)=C1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 2/20 0.46
RARA P10276 6/20 0.37
CYP26A1 O43174 4/20 0.37
RXRA P19793 5/20 0.35
RARB P10826 4/20 0.35
RARG P13631 4/20 0.35
PTGS1 P23219 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 3/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
RORC P51449 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
MAPK1 P28482 2/20 0.35
HTR2B P41595 2/20 0.35
BLM P54132 2/20 0.35
GMNN O75496 2/20 0.35

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
SCHEMBL958925 0.87 CYP26A1 (0.41) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL958924 0.87 CYP26A1 (0.41) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL960365 0.79 CYP1A2 (0.51) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL954532 0.77 MAPT (0.65) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL954530 0.77 MAPT (0.65) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL1594905 0.75 CYP1A2 (0.50) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL1594908 0.75 CYP1A2 (0.50) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL956142 0.74 MAPT (0.43) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL956143 0.74 MAPT (0.43) MAPTALDH1A1SMN1; SMN2CYP1A2RARA
SCHEMBL5077672 0.69 ALDH1A1 (0.74) 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.