SCHEMBL959172

SCHEMBL959172

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP26A1 O43174 5/20 0.41
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
APEX1 P27695 1/20 0.35
PMP22 Q01453 1/20 0.35
HAO1 Q9UJM8 1/20 0.34
TTR P02766 1/20 0.33
APP P05067 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL959171 1.00 MAPT (0.43) MAPTALDH1A1SMN1; SMN2CYP26A1CYP1A2
SCHEMBL960365 0.84 CYP1A2 (0.51) MAPTALDH1A1SMN1; SMN2CYP26A1CYP1A2
SCHEMBL1594296 0.82 CYP26A1 (0.41) MAPTALDH1A1SMN1; SMN2CYP26A1CYP1A2
SCHEMBL1594293 0.82 CYP26A1 (0.41) MAPTALDH1A1SMN1; SMN2CYP26A1CYP1A2
SCHEMBL958925 0.82 CYP26A1 (0.41) MAPTALDH1A1SMN1; SMN2CYP26A1CYP1A2
SCHEMBL958924 0.82 CYP26A1 (0.41) MAPTALDH1A1SMN1; SMN2CYP26A1CYP1A2
SCHEMBL11778547 0.76 MAPT (0.65) MAPTALDH1A1SMN1; SMN2CYP26A1CYP1A2
SCHEMBL11778543 0.76 MAPT (0.65) MAPTALDH1A1SMN1; SMN2CYP26A1CYP1A2
SCHEMBL4672835 0.74 CYP26A1 (0.39) MAPTALDH1A1SMN1; SMN2CYP26A1CYP1A2
SCHEMBL4672834 0.74 CYP26A1 (0.39) MAPTALDH1A1SMN1; SMN2CYP26A1CYP1A2

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-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 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.