SCHEMBL6115308

SCHEMBL6115308

CCCCCCCCCCn1nc(C)cc1C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.58
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.50
GLA P06280 1/20 0.50
LMNA P02545 2/20 0.46
SOAT1 P35610 3/20 0.43
ACAT1 P24752 1/20 0.43
APAF1 O14727 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5691486 1.00 GLS (0.58) GLSKDM4EALDH1A1GLALMNA
SCHEMBL11440000 1.00 GLS (0.58) GLSKDM4EALDH1A1GLALMNA
SCHEMBL11454059 1.00 GLS (0.58) GLSKDM4EALDH1A1GLALMNA
SCHEMBL6114777 1.00 GLS (0.58) GLSKDM4EALDH1A1GLALMNA
SCHEMBL6115144 1.00 GLS (0.58) GLSKDM4EALDH1A1GLALMNA
SCHEMBL6114878 1.00 GLS (0.58) GLSKDM4EALDH1A1GLALMNA
SCHEMBL6115309 1.00 GLS (0.58) GLSKDM4EALDH1A1GLALMNA
SCHEMBL5691487 1.00 GLS (0.58) GLSKDM4EALDH1A1GLALMNA
SCHEMBL11438406 1.00 GLS (0.58) GLSKDM4EALDH1A1GLALMNA
SCHEMBL6114514 0.98 GLS (0.60) GLSKDM4EALDH1A1GLALMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474527-B1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEM IND LTD (JP) 2017-01-25 EP disclosed
CN-104211620-B The autofrettage of bi-quaternary ammonium salt and its intermediate Wako-chem Industries Co., Ltd. (JP) 2016-05-25 CN disclosed
EP-2821395-A2 Novel disulfonic acid ester as an additive for an electrolyte for a lithium secondary battery Wako Pure Chemical Industries, Ltd. (JP) 2015-01-07 EP disclosed
CN-104211620-A PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE WAKO PURE CHEM IND LTD 2014-12-17 CN disclosed
US-8716513-B2 Process for production of bis-quaternary ammonium salt, and novel intermediate WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-06 US disclosed
CN-102482208-B Ionic Liquid Containing Allyl Sulfonate Anion WAKO PURE CHEMICAL INDUSTRY CO LTD 2014-02-26 CN disclosed
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 US disclosed
EP-2463266-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 EP disclosed
US-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-24 US disclosed
EP-0020077-A1 Quaternary pyrazole derivatives, process for their preparation and their use as fungicides and bactericides CILAG-CHEMIE A.G. (CH) 1980-12-10 EP disclosed
US-4207326-A Antimicrobial quaternary pyrazole derivatives CILAG-CHEMIE A.G. (CH) 1980-06-10 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 (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-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE ASS1, C1S, FHIT GLS 261/4885KDM4E 3350/4885ALDH1A1 799/4885
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 GLS 4539/4885KDM4E 4681/4885ALDH1A1 3717/4885

“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.