SCHEMBL9947076

SCHEMBL9947076

CNCCCCCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
LMNA P02545 1/20 0.46
KISS1R Q969F8 1/20 0.42
SIGMAR1 Q99720 2/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KDM4C Q9H3R0 3/20 0.34
KDM4A O75164 2/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PAOX Q6QHF9 1/20 0.32
GRIA1 P42261 3/20 0.32
CPB2 Q96IY4 1/20 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
SCHEMBL1508314 1.00 EPHX1 (0.50) EPHX1LMNAKISS1RSIGMAR1HTR2A
SCHEMBL2042220 1.00 EPHX1 (0.50) EPHX1LMNAKISS1RSIGMAR1HTR2A
SCHEMBL15346172 1.00 EPHX1 (0.50) EPHX1LMNAKISS1RSIGMAR1HTR2A
SCHEMBL17104335 1.00 EPHX1 (0.50) EPHX1LMNAKISS1RSIGMAR1HTR2A
SCHEMBL17104333 1.00 EPHX1 (0.50) EPHX1LMNAKISS1RSIGMAR1HTR2A
SCHEMBL25122641 1.00 EPHX1 (0.50) EPHX1LMNAKISS1RSIGMAR1HTR2A
SCHEMBL17104337 1.00 EPHX1 (0.50) EPHX1LMNAKISS1RSIGMAR1HTR2A
SCHEMBL11213990 1.00 EPHX1 (0.50) EPHX1LMNAKISS1RSIGMAR1HTR2A
SCHEMBL22564692 1.00 EPHX1 (0.50) EPHX1LMNAKISS1RSIGMAR1HTR2A
SCHEMBL28266891 1.00 EPHX1 (0.50) EPHX1LMNAKISS1RSIGMAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-2421874-B1 COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2015-09-30 EP claimed
WO-2024097775-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NUVATION BIO INC. (US) 2024-05-10 WO disclosed
CN-107209146-B Electrochemical gas sensor and electrolyte for electrochemical gas sensor 德尔格安全股份两合公司 2024-03-12 CN disclosed
US-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2023-12-05 US disclosed
US-20230357133-A1 NANOMATERIALS COMPRISING CARBONATES BEAM THERAPEUTICS INC. 2023-11-09 US disclosed
WO-2023134465-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-07-20 WO disclosed
US-11702402-B2 Small molecules that block proteasome-associated ubiquitin receptor RPN13 function and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-18 US disclosed
WO-2023109944-A1 TLR MODULATOR AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-06-22 WO disclosed
US-11318205-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-05-03 US disclosed
US-11312964-B2 Compositions and methods for modulating growth hormone receptor expression IONIS PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20170239397-A1 MODIFIED ALGINATES FOR ANTI-FIBROTIC MATERIALS AND APPLICATIONS UNITED STATES GOVERNMENT 2017-08-24 US disclosed
US-9644195-B2 Compounds and methods for purification of serine proteases PORTOLA PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
WO-2012174479-A1 IN VIVO PROTEOMICS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-12-20 WO disclosed
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-14 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 US disclosed
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2007-02-22 US disclosed
EP-0031924-B1 USE OF ALCANOL-AMINE SALTS OF CYCLIC AMIDOCARBOXYLIC ACIDS AS CORROSION INHIBITORS IN AQUEOUS SYSTEMS BASF Aktiengesellschaft (DE) 1983-05-18 EP disclosed
EP-0031924-A1 Use of alcanol-amine salts of cyclic amidocarboxylic acids as corrosion inhibitors in aqueous systems BASF Aktiengesellschaft (DE) 1981-07-15 EP disclosed
US-4190601-A Production of tertiary amines by reductive alkylation UNION CARBIDE CORPORATION (US) 1980-02-26 US 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 (8 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-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, POLL EPHX1 4180/4885LMNA 566/4885KISS1R 2381/4885
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof PARN, PARG, POLL EPHX1 4180/4885LMNA 566/4885KISS1R 2381/4885
US-20170239397-A1 MODIFIED ALGINATES FOR ANTI-FIBROTIC MATERIALS AND APPLICATIONS ALG1, FIBP, COL2A1 EPHX1 3857/4885LMNA 3162/4885KISS1R 4272/4885
US-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NCOA1, NCOR1, NCOA3 EPHX1 4120/4885LMNA 2220/4885KISS1R 1022/4885
US-20230357133-A1 NANOMATERIALS COMPRISING CARBONATES PHOSPHO1, CA13, SGMS2 EPHX1 2426/4885LMNA 211/4885KISS1R 4769/4885
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SSTR2, SSTR5, SSTR3 EPHX1 3976/4885LMNA 4079/4885KISS1R 185/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 EPHX1 1684/4885LMNA 1656/4885KISS1R 2435/4885
US-11702402-B2 Small molecules that block proteasome-associated ubiquitin receptor RPN13 function and uses thereof CRBN, PSME3, PSMB10 EPHX1 4324/4885LMNA 2542/4885KISS1R 2410/4885

“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.