SCHEMBL957525

SCHEMBL957525

CC1(C)CCC(C)(C)C(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MAOA P21397 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
Iodide SCHEMBL14879867 0.95 NPSR1 (0.31) NPSR1L3MBTL1MAPT
SCHEMBL14278445 0.74 NPSR1 (0.34) NPSR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL9754962 0.73 MAPT (0.36) MAPTALDH1A1HTTNOS3NOS1
SCHEMBL4428965 0.71
SCHEMBL12630691 0.70
SCHEMBL2690654 0.69
SCHEMBL10588951 0.67 MAPT (0.42) NPSR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL2692984 0.65 KDM4E (0.31) L3MBTL1
SCHEMBL15021 0.65 RAB9A (0.31)
SCHEMBL1392715 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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023161168-A1 AROMATIC HETREOCYCLES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-31 WO disclosed
WO-2023161167-A1 NITROGENOUS HETEROCYCLES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-31 WO disclosed
WO-2022129116-A1 INDOLO[3.2.1-JK]CARBAZOLE-6-CARBONITRILE DERIVATIVES AS BLUE FLUORESCENT EMITTERS FOR USE IN OLEDS MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
EP-2768307-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2020-03-18 EP disclosed
EP-3094626-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS RXR AGONISTS CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-02-19 EP disclosed
EP-3094626-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS RXR AGONISTS CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-02-19 EP disclosed
CN-107074800-B substituted bicyclic heteroaryl compounds as RXR agonists 康内克斯生命科学私人有限公司 2019-11-12 CN disclosed
EP-2935291-B1 IRIDIUM COMPLEXES USED IN OLIGOMERS, POLYMERS OR DENDRIMERS IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-16 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-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
US-4931458-A Heterocyclic rodenticidal compounds, compositions containing the compounds, and methods of use HOFFMANN-LA ROCHE INC. (US) 1990-06-05 US disclosed
US-4816476-A BENZO(B)THIENYL GROUP OR BENZOFURAN SUBSTITUTED GROUPS HOFFMANN-LA ROCHE INC. (US) 1989-03-28 US disclosed
EP-0098591-B1 HETEROCYCLIC COMPOUNDS AND RODENTICIDES CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-07-08 EP disclosed
US-4659735-A Benzofuranyl (thienyl) propenyl derivatives useful as rodenticides HOFFMANN-LA ROCHE INC. (US) 1987-04-21 US disclosed
US-4617146-A TOBACCO; FOODS; BEVERAGES; PERFUMES GIVAUDAN CORPORATION (US) 1986-10-14 US disclosed
US-4535086-A RODENTICIDES HOFFMANN-LA ROCHE INC. (US) 1985-08-13 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 (1 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-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA NPSR1 2835/4885L3MBTL1 1042/4885MAPT 741/4885

“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.