SCHEMBL6114809

SCHEMBL6114809

CCCCCc1cccc2cnccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.52
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
GLS O94925 1/20 0.45
TLR8 Q9NR97 4/20 0.45
KCNH2 Q12809 1/20 0.43
DAO P14920 1/20 0.43
PDE10A Q9Y233 1/20 0.43
PPARA Q07869 1/20 0.43
ROCK2 O75116 1/20 0.42

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
SCHEMBL6114689 0.98 TRPV1 (0.51) TRPV1LMNAHTTALDH1A1TDP1
SCHEMBL6115043 0.98 TRPV1 (0.51) TRPV1LMNAHTTALDH1A1TDP1
SCHEMBL6114813 0.98 TRPV1 (0.51) TRPV1LMNAHTTALDH1A1TDP1
SCHEMBL6114802 0.98 TRPV1 (0.51) TRPV1LMNAHTTALDH1A1TDP1
SCHEMBL6114434 0.98 TRPV1 (0.51) TRPV1LMNAHTTALDH1A1TDP1
SCHEMBL6115355 0.98 TRPV1 (0.51) TRPV1LMNAHTTALDH1A1TDP1
SCHEMBL6114604 0.98 TRPV1 (0.51) TRPV1LMNAHTTALDH1A1TDP1
SCHEMBL6114998 0.95 TRPV1 (0.51) TRPV1LMNAHTTALDH1A1TDP1
SCHEMBL6114531 0.88 KDM4E (0.50) TRPV1LMNAHTTALDH1A1L3MBTL1
SCHEMBL6115311 0.87 TDP1 (0.47) TRPV1TDP1L3MBTL1TLR8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TRPV1 2435/4885LMNA 4498/4885HTT 2095/4885

“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.