SCHEMBL901117

SCHEMBL901117

CCC1=CC(C)(C)CCC1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL4271420 0.84 CYP19A1 (0.35) CYP19A1
SCHEMBL4266616 0.82 CYP19A1 (0.30) CYP19A1
SCHEMBL4277408 0.82
SCHEMBL4278987 0.81 CYP19A1 (0.37) CYP19A1
SCHEMBL4281128 0.80
SCHEMBL4276445 0.80 KDM4E (0.31)
SCHEMBL4274414 0.79
SCHEMBL4269311 0.79
SCHEMBL4269538 0.79
SCHEMBL4277381 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475256-B1 DEHYDROGENATION REACTION FIRMENICH & CIE (CH) 2024-01-24 EP disclosed
CN-109415293-B Dehydrogenation reaction 弗门尼舍有限公司 2022-08-02 CN disclosed
US-10899694-B2 Dehydrogenation reaction FIRMENICH SA (CH) 2021-01-26 US disclosed
US-20190345088-A1 DEHYDROGENATION REACTION FIRMENICH SA (CH) 2019-11-14 US disclosed
EP-3475256-A1 DEHYDROGENATION REACTION Firmenich SA (CH) 2019-05-01 EP disclosed
WO-2018001963-A1 DEHYDROGENATION REACTION FIRMENICH SA (CH) 2018-01-04 WO disclosed
EP-2622051-B1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2014-07-09 EP disclosed
US-8697626-B2 4,4-dimethyl-decal-1-one or -1-OL derivatives as perfuming ingredients FIRMENICH SA (CH) 2014-04-15 US disclosed
EP-2622051-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS Firmenich SA (CH) 2013-08-07 EP disclosed
US-20130190218-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA 2013-07-25 US disclosed
US-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2007-03-22 US disclosed
EP-0780122-B1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE KOYAMA SHOZO (JP) 2006-11-22 EP disclosed
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2004-11-11 US disclosed
US-6710090-B2 A CYCLOHEX-1-EN-2-ONE COMPOUND KOYAMA SHOZO (JP) 2004-03-23 US disclosed
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2002-11-07 US disclosed
US-6346551-B1 ANTIBACTERIAL, ANTIFUNGAL, ANTIVIRAL, BACTERICIDAL AND/OR STERILIZATION AGENTS, ANTICANCER DRUGS, BLOOD COAGULATION AND FIBRINOLYSIS INHIBITORS AND/OR BLOCKING AGENTS, INHIBITORY AND/OR BLOCKING AGENTS OF ANTIGEN-ANTIBODY REACTIONS KOYAMA SHOZO (JP) 2002-02-12 US disclosed
EP-0780122-A1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE Koyama, Shozo (JP) 1997-06-25 EP disclosed
EP-0455304-B1 Process for the preparation of cyclic ketones SHELL INT RESEARCH (NL) 1994-12-07 EP disclosed
US-5124486-A PROCESS FOR THE PREPARATION OF CYCLIC KETONES SHELL RESEARCH LIMITED (GB) 1992-06-23 US disclosed
EP-0455304-A1 Process for the preparation of cyclic ketones SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-11-06 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 (5 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-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, SERPINB6, CD74 CYP19A1 2046/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 CYP19A1 293/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 CYP19A1 1601/4885
US-10899694-B2 Dehydrogenation reaction PDK3, PDK2, PDHA1 CYP19A1 185/4885
US-20190345088-A1 DEHYDROGENATION REACTION PDK3, PDK2, PDHA1 CYP19A1 185/4885

“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.