SCHEMBL6114591

SCHEMBL6114591

CCCCCCCc1cccc2ccncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 1/20 0.46
TLR8 Q9NR97 5/20 0.46
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
LIPG Q9Y5X9 1/20 0.42
TNF P01375 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
SCHEMBL6114816 1.00 TDP1 (0.46) TDP1L3MBTL1KCNH2TLR8BID
SCHEMBL6115070 1.00 TDP1 (0.46) TDP1L3MBTL1KCNH2TLR8BID
SCHEMBL6115127 1.00 TDP1 (0.46) TDP1L3MBTL1KCNH2TLR8BID
SCHEMBL6114546 1.00 TDP1 (0.46) TDP1L3MBTL1KCNH2TLR8BID
SCHEMBL6114990 1.00 TDP1 (0.46) TDP1L3MBTL1KCNH2TLR8BID
SCHEMBL6114865 1.00 TDP1 (0.46) TDP1L3MBTL1KCNH2TLR8BID
SCHEMBL6115311 0.98 TDP1 (0.47) TDP1L3MBTL1KCNH2TLR8BID
SCHEMBL6114803 0.94 TNF (0.44) TDP1L3MBTL1TLR8TRPV1TNF
SCHEMBL6114434 0.88 TRPV1 (0.51) TDP1L3MBTL1KCNH2TLR8PPARA
SCHEMBL6114689 0.88 TRPV1 (0.51) TDP1L3MBTL1KCNH2TLR8PPARA

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 TDP1 3074/4885L3MBTL1 2236/4885KCNH2 288/4885

“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.