SCHEMBL14880080

SCHEMBL14880080

CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@@]12C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.34
▸ SOD1 P00441 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NR1H3 Q13133 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ EP300 Q09472 1/20 0.31
▸ KARS1 Q15046 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ CETP P11597 1/20 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
SCHEMBL14882179 1.00 TRPA1 (0.34) TRPA1SOD1CYP3A4MAPTRECQL
SCHEMBL11451547 1.00 TRPA1 (0.34) TRPA1SOD1CYP3A4MAPTRECQL
SCHEMBL16011025 0.77 CYP19A1 (0.37) SOD1CYP3A4MAPTCYP19A1CYP2C9
SCHEMBL18250213 0.72 CYP3A4 (0.33) TRPA1CYP3A4MAPTRECQLTSHR
SCHEMBL16499264 0.63 TRPA1 (0.35) TRPA1SOD1CYP3A4MAPTPIK3CA
SCHEMBL12825623 0.63 TRPA1 (0.35) TRPA1SOD1CYP3A4MAPTPIK3CA
SCHEMBL12825583 0.62 GAA (0.33) CYP3A4MAPTCYP19A1CETP
SCHEMBL14881348 0.62 CYP3A4 (0.31) CYP3A4MAPTRECQL
SCHEMBL21916419 0.62 CYP3A4 (0.31) CYP3A4MAPTRECQL
SCHEMBL14879803 0.62 CYP3A4 (0.31) CYP3A4MAPTRECQL

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 TRPA1 208/4885SOD1 3456/4885CYP3A4 4427/4885
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, PDE6C, CRYAA TRPA1 184/4885SOD1 3310/4885CYP3A4 4349/4885

“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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