SCHEMBL14879825

SCHEMBL14879825

CC1(C)CCCC2OC(=O)CC21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP19A1 P11511 2/20 0.32

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
SCHEMBL22580751 0.78 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL21742805 0.78 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13041723 0.78 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL14879992 0.72 SMN1; SMN2 (0.41) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL14879774 0.65 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL14360309 0.64 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL20715356 0.63 — —
SCHEMBL20715361 0.63 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL13424991 0.63 — —
SCHEMBL1456817 0.63 — —

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 ALDH1A1 2166/4885CYP3A4 4427/4885CYP2C9 4628/4885
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, PDE6C, CRYAA ALDH1A1 2291/4885CYP3A4 4349/4885CYP2C9 4551/4885

“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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