SCHEMBL8677451

SCHEMBL8677451

CC(C)C1CCC(C(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
ALOX5 P09917 1/20 0.32
SHBG P04278 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
SCHEMBL22462729 1.00 NOS3 (0.33) NOS3NOS1NOS2ROCK2ROCK1
SCHEMBL5422 1.00
Hydrochloric Acid SCHEMBL25285379 0.96
Ammonia Solution, Strong SCHEMBL16487287 0.96
SCHEMBL22349300 0.89 MEN1 (0.36) ROCK2ROCK1
SCHEMBL21539856 0.89 MEN1 (0.36) ROCK2ROCK1
SCHEMBL16191246 0.89 OPRM1 (0.31) ROCK2ROCK1
SCHEMBL24210496 0.89 SHBG (0.35) ROCK2ROCK1SHBG
SCHEMBL7979 0.86 TRPA1 (0.39)
SCHEMBL452781 0.86 TRPA1 (0.39)

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4605742-A Process for the production of piperidine MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1986-08-12 US claimed
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN ALPHA-9 ONCOLOGY INC. (CA) 2024-01-18 US disclosed
US-20230301173-A1 ELECTRONIC SWITCHING DEVICE MERCK PATENT GMBH (DE) 2023-09-21 US disclosed
US-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 US disclosed
WO-2023131170-A1 DOUBLE-STRANDED RNA HAVING NUCLEOTIDE ANALOG 大睿生物医药科技(上海)有限公司 2023-07-13 WO disclosed
US-20230210822-A1 PHARMACEUTICAL COMPOSITION FOR TREATING FATTY LIVER DISEASE SHIONOGI & CO., LTD. (JP) 2023-07-06 US disclosed
WO-2023071657-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION THEREOF, AND LIQUID CRYSTAL DISPLAY DEVICE 江苏和成显示科技有限公司 2023-05-04 WO disclosed
WO-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed
US-20220177449-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-06-09 US disclosed
US-20220133734-A1 SUBSTITUTED 1H-PYRAZOLO[4,3-C]PYRIDINES AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-05 US disclosed
US-20200306737-A1 SYNTHESIS AND APPLICATION OF CHIRAL SUBSTITUTED POLYVINYLPYRROLIDINONES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2020-10-01 US disclosed
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. 2019-07-04 US disclosed
US-20190161501-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2019-05-30 US disclosed
US-9783735-B2 Liquid crystal display device and liquid crystal composition used therefor SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-10 US disclosed
US-8877092-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2014-11-04 US disclosed
US-20120326084-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-27 US disclosed
US-5759528-A AMINE OXIDE SURFACTANT AND CYCLOHEXANE, CYCLOHEXENE OR CYCLOHEXANONE DERIVATIVE INSTITUTE FOR ADVANCED SKIN RESEARCH, INC. (JP) 1998-06-02 US disclosed
EP-0745389-A1 COMPOSITION FOR TOPICAL APPLICATION INSTITUTE FOR ADVANCED SKIN RESEARCH INC. (JP) 1996-12-04 EP disclosed
US-4605742-A Process for the production of piperidine MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1986-08-12 US disclosed
EP-0019764-A1 Trans-3-(4'-tert.-butyl-cyclohexyl-1')-2-methyl-1-(3'-methylpiperidino, 3',5'-dimethylpiperidino and 2', 6'-dimethylmorpholino) propane, process for their pure preparation, antimycotic agents containing them and their utilisation BASF Aktiengesellschaft (DE) 1980-12-10 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 (10 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-20120326084-A1 LIQUID-CRYSTALLINE MEDIUM NEFM, VIM, PLG NOS3 4378/4885NOS1 2848/4885NOS2 4304/4885
US-20220177449-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 NOS3 2981/4885NOS1 3506/4885NOS2 4216/4885
US-20220133734-A1 SUBSTITUTED 1H-PYRAZOLO[4,3-C]PYRIDINES AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB4, ERBB2 NOS3 1480/4885NOS1 1959/4885NOS2 2906/4885
US-20200306737-A1 SYNTHESIS AND APPLICATION OF CHIRAL SUBSTITUTED POLYVINYLPYRROLIDINONES POLRMT, CNBP, DHPS NOS3 3110/4885NOS1 2719/4885NOS2 2507/4885
US-20230301173-A1 ELECTRONIC SWITCHING DEVICE OR10J3, L1CAM, GRM6 NOS3 1224/4885NOS1 448/4885NOS2 673/4885
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN KLK3, FOLH1, TMEM14C NOS3 4835/4885NOS1 4849/4885NOS2 4809/4885
US-20230210822-A1 PHARMACEUTICAL COMPOSITION FOR TREATING FATTY LIVER DISEASE LIPC, PNLIP, ACACB NOS3 1541/4885NOS1 1792/4885NOS2 908/4885
US-11739085-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 NOS3 4791/4885NOS1 4783/4885NOS2 4813/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 NOS3 4791/4885NOS1 4783/4885NOS2 4813/4885
US-20190161501-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 NOS3 356/4885NOS1 914/4885NOS2 1179/4885

“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.