SCHEMBL6115102

SCHEMBL6115102

CCCCCCCCCCc1cncc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
TLR8 Q9NR97 3/20 0.45
LIPG Q9Y5X9 1/20 0.45
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CNR1 P21554 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
SCHEMBL6115451 1.00 MAPT (0.45) MAPTTLR8LIPGKCNH2KDM4E
SCHEMBL6114784 1.00 MAPT (0.45) MAPTTLR8LIPGKCNH2KDM4E
SCHEMBL6114383 1.00 MAPT (0.45) MAPTTLR8LIPGKCNH2KDM4E
SCHEMBL6114726 1.00 MAPT (0.45) MAPTTLR8LIPGKCNH2KDM4E
SCHEMBL6115239 1.00 MAPT (0.45) MAPTTLR8LIPGKCNH2KDM4E
SCHEMBL6115304 1.00 MAPT (0.45) MAPTTLR8LIPGKCNH2KDM4E
SCHEMBL6114616 0.98 TLR8 (0.46) MAPTTLR8LIPGKCNH2KDM4E
SCHEMBL6114713 0.93 TLR8 (0.45) MAPTTLR8KDM4EALDH1A1GAA
SCHEMBL6114529 0.86 CYP11B1 (0.45) KCNH2KDM4EALDH1A1CYP3A4GAA
SCHEMBL15847094 0.84 TLR8 (0.43) MAPTTLR8LIPGKCNH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE ASS1, C1S, FHIT MAPT 3699/4885TLR8 3836/4885LIPG 4747/4885

“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.