SCHEMBL466127

SCHEMBL466127

C=CCC(C(=O)O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
CYP2C19 P33261 1/20 0.38
CPA1 P15085 1/20 0.38
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7164140 1.00 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1CHRNB2
Ammonia Solution, Strong SCHEMBL27395046 0.98 GRIK1 (0.38) GRIK1GRIK2CYP2C19CPA1CHRNB2
SCHEMBL27924097 0.90 GRIK1 (0.34) GRIK1GRIK2CYP2C19CPA1CHRNB2
Glycinebetaine SCHEMBL934122 0.83 CPA1 (0.33) GRIK1GRIK2CPA1
SCHEMBL1583283 0.81 GRIK1 (0.36) GRIK1GRIK2CYP2C19CPA1
SCHEMBL2973406 0.81 GRIK1 (0.36) GRIK1GRIK2CYP2C19CPA1
SCHEMBL491045 0.81 GRIK1 (0.32) GRIK1GRIK2CYP2C19CPA1
SCHEMBL2973400 0.81 GRIK1 (0.36) GRIK1GRIK2CYP2C19CPA1
SCHEMBL30053640 0.79 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9683571 0.78 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513637-A Kit for detecting biofilm and method for detecting biofilm 莎罗雅株式会社 2021-03-16 CN claimed
WO-2019189124-A1 POLISHING COMPOSITION 株式会社フジミインコーポレーテッド 2019-10-03 WO claimed
CN-101839123-B Exploitation method for wax precipitation oil reservoir LI XIANGDONG 2013-07-10 CN claimed
US-8288329-B2 Hair-treatment composition and hair-treatment method using same HOYU CO., LTD (JP) 2012-10-16 US claimed
US-8211879-B2 Cationic steroid antimicrobial compositions and methods of use BRIGHAM YOUNG UNIVERSITY (US) 2012-07-03 US claimed
US-20120100091-A1 HAIR-TREATMENT COMPOSITION AND HAIR-TREATMENT METHOD USING SAME HOYU CO., LTD. (JP) 2012-04-26 US claimed
CN-101839127-A Exploitation method of thick oil type oil deposit BEIJING ORIENT ASIA PETROLEUM TECHNOLOGY SERVICE CO LTD 2010-09-22 CN claimed
CN-101839123-A Exploitation method for wax precipitation oil reservoir Beijing east asia petroleum technology service co ltd 2010-09-22 CN claimed
US-20090257963-A1 METHOD FOR MEASURABLY IMPROVING ORAL HEALTH ZICARE, LLC (US) 2009-10-15 US claimed
EP-1550669-B1 Refolded membrane protein in monodisperse form PHASYS GMBH M (DE) 2008-08-06 EP claimed
WO-2001014407-A2 REFOLDING OF MEMBRANE PROTEINS, USING TWO DIFFERENT DETERGENTS M-PHASYS GMBH (DE) 2001-03-01 WO claimed
EP-1043020-A1 MEDICINAL COMPOSITION FOR PERCUTANEOUS ADMINISTRATION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-10-11 EP claimed
CN-1211193-A Contraceptive release systems with antibacterial and/or antiviral effect SCHERING AG (DE) 1999-03-17 CN claimed
EP-0511611-B1 Liquid herbicidal compositions HOECHST SCHERING AGREVO GMBH (DE) 1996-02-28 EP claimed
US-5491125-A HIGH LOW-TEMPERATURE STABILITY AND RAIN RESISTANCE HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-13 US claimed
EP-0576425-A1 METHOD FOR INACTIVATING ENVELOPED VIRUSES AND SPERM E.B. MICHAELS RESEARCH ASSOCIATES, INC. (US) 1994-01-05 EP claimed
US-5258358-A PLANT GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-02 US claimed
WO-1992016201-A1 METHOD FOR INACTIVATING ENVELOPED VIRUSES AND SPERM E.B. MICHAELS RESEARCH ASSOCIATES, INC. (US) 1992-10-01 WO claimed
US-4252656-A AEROSOL CONTAINING CATIONIC POLYMER, SOFTENING AND FOAMING AGENTS, STABILIZER, HUMECTANT, WATER, AND PROPELLANT; LAUNDRY DRIERS COLGATE-PALMOLIVE COMPANY (US) 1981-02-24 US claimed
US-4041205-A SURFACTANTS AND A REINFORCEMENT SELECTED FROM CELLULOSE, PROTEIN, AND NYLON COLGATE-PALMOLIVE COMPANY (US) 1977-08-09 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120100091-A1 HAIR-TREATMENT COMPOSITION AND HAIR-TREATMENT METHOD USING SAME AADAT, BHMT2, BCAT2 GRIK1 1193/4885GRIK2 1380/4885CYP2C19 1972/4885

“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.