SCHEMBL1781508

SCHEMBL1781508

CCCCCCC(C)(C)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.47
GGPS1 O95749 6/20 0.45
FDPS P14324 8/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CES1 P23141 3/20 0.42

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
SCHEMBL106203 1.00 CES2 (0.47) CES2GGPS1FDPSCYP4F2CYP4A11
SCHEMBL28635947 1.00 CES2 (0.47) CES2GGPS1FDPSCYP4F2CYP4A11
SCHEMBL28630152 1.00 CES2 (0.47) CES2GGPS1FDPSCYP4F2CYP4A11
SCHEMBL28620955 1.00 CES2 (0.47) CES2GGPS1FDPSCYP4F2CYP4A11
SCHEMBL11175561 1.00 CES2 (0.47) CES2GGPS1FDPSCYP4F2CYP4A11
SCHEMBL5180253 1.00 CES2 (0.47) CES2GGPS1FDPSCYP4F2CYP4A11
SCHEMBL28623069 1.00 CES2 (0.47) CES2GGPS1FDPSCYP4F2CYP4A11
SCHEMBL28625217 1.00 CES2 (0.47) CES2GGPS1FDPSCYP4F2CYP4A11
SCHEMBL19422035 1.00 CES2 (0.47) CES2GGPS1FDPSCYP4F2CYP4A11
SCHEMBL1781936 0.98 CES2 (0.43) CES2GGPS1FDPSCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095696-B1 PROCESS FOR THE PREPARATION OF 2,2-DIMETHYL-3-ARYL-CYCLOPROPANE CARBOXYLIC ACIDS AND THEIR ESTERS, INTERMEDIATE PRODUCTS THEREFOR AND PROCESSES FOR THEIR PREPARATION BAYER AG (DE) 1985-04-10 EP claimed
EP-0095696-A1 Process for the preparation of 2,2-dimethyl-3-aryl-cyclopropane carboxylic acids and their esters, intermediate products therefor and processes for their preparation BAYER AG (DE) 1983-12-07 EP claimed
US-12043637-B2 Fluorescent dyes containing bis-boron fused heterocycles and uses in sequencing ILLUMINA CAMBRIDGE LIMITED (GB) 2024-07-23 US disclosed
US-20230304086-A1 LABELED AVIDIN AND METHODS FOR SEQUENCING ILLUMINA CAMBRIDGE LIMITED (GB) 2023-09-28 US disclosed
CN-109790284-B Polyphenol compound and process for producing the same 三菱化学株式会社 2021-09-21 CN disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-8044203-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2011-10-25 US disclosed
EP-1525265-B1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS UNIV CARNEGIE MELLON (US) 2011-07-20 EP disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
EP-2258776-A1 Fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2010-12-08 EP disclosed
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 2010-10-21 US disclosed
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-4681952-A Intermediates in the preparation of 2,2-dimethyl-3-aryl-cyclopropanecarboxylic acids and esters BAYER AKTIENGESELLSCHAFT (DE) 1987-07-21 US disclosed
US-4663465-A Preparation of 2,2-dimethyl-3-aryl-cyclopropanecarboxylic acid and esters and new intermediates therefor BAYER AKTIENGESELLSCHAFT (DE) 1987-05-05 US disclosed
EP-0095697-B1 2,2-DIMETHYL-3-ARYL-CYCLOBUTANONES, A PROCESS FOR THEIR PREPARATION AND NEW 2,2-DIMETHYL-3-ARYL-4-HALO-CYCLOBUTANONES BAYER AG (DE) 1985-11-21 EP disclosed
EP-0095696-B1 PROCESS FOR THE PREPARATION OF 2,2-DIMETHYL-3-ARYL-CYCLOPROPANE CARBOXYLIC ACIDS AND THEIR ESTERS, INTERMEDIATE PRODUCTS THEREFOR AND PROCESSES FOR THEIR PREPARATION BAYER AG (DE) 1985-04-10 EP disclosed
EP-0095697-A1 2,2-Dimethyl-3-aryl-cyclobutanones, a process for their preparation and new 2,2-dimethyl-3-aryl-4-halo-cyclobutanones BAYER AG (DE) 1983-12-07 EP disclosed
EP-0095696-A1 Process for the preparation of 2,2-dimethyl-3-aryl-cyclopropane carboxylic acids and their esters, intermediate products therefor and processes for their preparation BAYER AG (DE) 1983-12-07 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 (4 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-12043637-B2 Fluorescent dyes containing bis-boron fused heterocycles and uses in sequencing BLVRB, BCDIN3D, FOSB CES2 1933/4885GGPS1 2278/4885FDPS 574/4885
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 CES2 1371/4885GGPS1 647/4885FDPS 3227/4885
US-20230304086-A1 LABELED AVIDIN AND METHODS FOR SEQUENCING ANXA6, ANXA3, BCDIN3D CES2 3083/4885GGPS1 3225/4885FDPS 3005/4885
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS IDO1, IDO2, INMT CES2 1101/4885GGPS1 3211/4885FDPS 2016/4885

“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.