SCHEMBL959235

SCHEMBL959235

CC1=CC(=O)C(C)(C)CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.33
ACHE P22303 1/20 0.31

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
SCHEMBL16322256 0.76 CYP19A1 (0.33) CYP19A1ACHE
SCHEMBL1867990 0.75
SCHEMBL4329065 0.74 CYP19A1 (0.32) CYP19A1
SCHEMBL16321921 0.74 POLB (0.33) CYP19A1
SCHEMBL10285357 0.71 CA1 (0.36) CYP19A1
SCHEMBL12697758 0.71 CES2 (0.33) CYP19A1
SCHEMBL15413318 0.69
SCHEMBL12861057 0.68 ALDH1A1 (0.42)
SCHEMBL857338 0.67 POLB (0.37) CYP19A1
SCHEMBL8996595 0.66 SMN1; SMN2 (0.40) CYP19A1

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 41 patents — showing the first 20. 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
EP-3100723-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
EP-2785178-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2019-05-01 EP disclosed
US-20190023649-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS, INC. (US) 2019-01-24 US disclosed
US-10040749-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. (US) 2018-08-07 US disclosed
US-9757370-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS, INC. (US) 2017-09-12 US disclosed
US-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2017-05-18 US 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-2944628-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2017-01-04 EP disclosed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US disclosed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 US disclosed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 US disclosed
EP-0098591-B1 HETEROCYCLIC COMPOUNDS AND RODENTICIDES CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-07-08 EP disclosed
US-4617146-A TOBACCO; FOODS; BEVERAGES; PERFUMES GIVAUDAN CORPORATION (US) 1986-10-14 US disclosed
EP-0116277-A2 Ketones of bicyclic compounds, process for their preparation, odorant and/or flavouring compositions containing such compounds L. GIVAUDAN & CIE Société Anonyme (CH) 1984-08-22 EP disclosed
EP-0098591-A1 Heterocyclic compounds and rodenticides containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-01-18 EP 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 (6 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 CYP19A1 4114/4885ACHE 3071/4885
US-20170037018-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, UACA CYP19A1 4452/4885ACHE 3878/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR CYP19A1 4207/4885ACHE 2196/4885
US-10040749-B2 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, PDE6C CYP19A1 3945/4885ACHE 3200/4885
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists TACR1, NPSR1, TACR2 CYP19A1 2660/4885ACHE 2246/4885
US-20190023649-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, PDE6C CYP19A1 3945/4885ACHE 3200/4885

“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.