SCHEMBL7913384

SCHEMBL7913384

CCCCC(CCC)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.53
CA1 P00915 5/20 0.53
CPB2 Q96IY4 2/20 0.49
MAPK1 P28482 1/20 0.48
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44

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
Hydrochloric Acid SCHEMBL28630562 0.98 CA2 (0.52) CA2CA1CPB2MAPK1HDAC1
SCHEMBL5491480 0.96 CA2 (0.57) CA2CA1CPB2MAPK1TDP1
SCHEMBL17435171 0.94 CPB2 (0.51) CA2CA1CPB2MAPK1HDAC1
SCHEMBL21052329 0.93 CA2 (0.55) CA2CA1CPB2MAPK1TDP1
Hydrochloric Acid SCHEMBL27486062 0.93 CA2 (0.55) CA2CA1CPB2MAPK1TDP1
SCHEMBL28301437 0.93 CA2 (0.55) CA2CA1CPB2MAPK1TDP1
SCHEMBL9081173 0.92 CPB2 (0.54) CA2CA1CPB2HDAC1HDAC2
SCHEMBL29151461 0.92 CPB2 (0.54) CA2CA1CPB2HDAC1HDAC2
SCHEMBL28596178 0.92 CPB2 (0.54) CA2CA1CPB2HDAC1HDAC2
SCHEMBL28524921 0.92 CPB2 (0.54) CA2CA1CPB2HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115297861-B Compounds and uses thereof 福宏治疗公司 2024-07-12 CN disclosed
CN-116730832-B Preparation method of 2-propyl caproic acid 湖南大学 2024-05-07 CN disclosed
CN-117897382-A Nitrogen-containing tricyclic compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2024-04-16 CN disclosed
CN-116730832-A Preparation method of 2-propyl caproic acid 湖南大学 2023-09-12 CN disclosed
CN-115385906-A Method for preparing umeclidinium bromide 好利安科技有限公司 2022-11-25 CN disclosed
CN-115297861-A Compound and use thereof 福宏治疗公司 2022-11-04 CN disclosed
CN-112645945-B Preparation method of Wumei ammonium bromide intermediate 上海谷森医药有限公司 2022-03-11 CN disclosed
CN-114037501-A Structural recommendation algorithm, device and equipment based on heterogeneous feedback 深圳大学 2022-02-11 CN disclosed
CN-113636960-A Preparation method of 2- (chlorosulfonyl) cyclohexane-1-ethyl olefin formate derivative 上海皓元医药股份有限公司 2021-11-12 CN disclosed
CN-112645945-A Preparation method of Wumei ammonium bromide intermediate 上海谷森医药有限公司 2021-04-13 CN disclosed
US-20160015684-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N- SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SPRIASO LLC 2016-01-21 US disclosed
US-20140309435-A1 PROCESS FOR PREPARING ESTERS FROM FORMATES AND OLEFINICALLY UNSATURATED COMPOUNDS EVONIK INDUSTRIES AG (DE) 2014-10-16 US disclosed
US-20140030609-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2014-01-30 US disclosed
CN-103477492-A Non-aqueous electrolyte solution and electricity-storage device using same UBE INDUSTRIES 2013-12-25 CN disclosed
CN-101541754-A Azabicyclic compounds as monoamine reuptake inhibitors GLAXO GROUP LTD (GB) 2009-09-23 CN disclosed
EP-1771446-B1 AZAINDOLE INHIBITORS OF MTP AND APOB MERCK PATENT GMBH (DE) 2008-06-11 EP disclosed
US-6207739-B1 Polyamide acid composition containing metal, polyimide film, flexible printed wiring board and method for producing them KANEGAFUCHI KAGAKU KOGYO KABUSHIKI (JP) 2001-03-27 US disclosed
EP-0629603-B1 Process for the production of esters MITSUBISHI GAS CHEMICAL CO (JP) 1997-10-29 EP disclosed
US-5463095-A Process for the production of esters MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1995-10-31 US disclosed
EP-0629603-A1 Process for the production of esters MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-12-21 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 (2 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-20160015684-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N- SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SLC7A1, CYP2D6, CYP3A7 CA2 1820/4885CA1 3239/4885CPB2 634/4885
US-20140309435-A1 PROCESS FOR PREPARING ESTERS FROM FORMATES AND OLEFINICALLY UNSATURATED COMPOUNDS FDPS, ELOVL6, ELOVL3 CA2 3961/4885CA1 3163/4885CPB2 2489/4885

“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.