SCHEMBL3215924

SCHEMBL3215924

CCCC[n+]1ccc(-c2cc[n+](CC)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.72
MEN1 O00255 3/20 0.72
MAPT P10636 2/20 0.72
TP53 P04637 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
HTT P42858 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
LMNA P02545 2/20 0.69
KDM4E B2RXH2 1/20 0.69
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
CHRM2 P08172 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
CHRM1 P11229 2/20 0.45
ACHE P22303 2/20 0.45
SLC6A2 P23975 2/20 0.45

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
SCHEMBL3207497 0.93 KMT2A (0.83) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL3202302 0.93 KMT2A (0.82) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL3220108 0.91 KMT2A (0.88) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL3210654 0.91 KMT2A (0.88) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL3196815 0.91 KMT2A (0.88) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL3210379 0.91 KMT2A (0.88) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL3215486 0.91 KMT2A (0.88) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL3207381 0.91 KMT2A (0.88) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL3208314 0.91 KMT2A (0.88) KMT2AMEN1MAPTTP53CYP1A2
Hydrochloric Acid SCHEMBL25240263 0.91 KMT2A (0.78) KMT2AMEN1MAPTTP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2067770-B1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEM IND LTD (JP) 2017-04-12 EP disclosed
EP-2602856-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME WAKO PURE CHEM IND LTD (JP) 2017-02-22 EP disclosed
CN-103053060-B Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-24 CN disclosed
US-9257720-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
CN-103069636-B Non-aqueous electrolyte, its autofrettage and use the non-aqueous electrolyte cell of this electrolyte WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-01-20 CN disclosed
US-9190695-B2 Nonaqueous electrolyte solution, method for producing same, and nonaqueous electrolyte battery using the electrolyte solution WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-17 US disclosed
EP-2602855-B1 NONAQUEOUS ELECTROLYTE SOLUTION, METHOD FOR PRODUCING SAME, AND NONAQUEOUS ELECTROLYTE BATTERY USING THE ELECTROLYTE SOLUTION WAKO PURE CHEM IND LTD (JP) 2015-02-18 EP disclosed
EP-2602856-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME Wako Pure Chemical Industries, Ltd. (JP) 2013-06-12 EP disclosed
EP-2602855-A1 NONAQUEOUS ELECTROLYTE SOLUTION, METHOD FOR PRODUCING SAME, AND NONAQUEOUS ELECTROLYTE BATTERY USING THE ELECTROLYTE SOLUTION Wako Pure Chemical Industries, Ltd. (JP) 2013-06-12 EP disclosed
US-20130143129-A1 NONAQUEOUS ELECTROLYTE SOLUTION, METHOD FOR PRODUCING SAME, AND NONAQUEOUS ELECTROLYTE BATTERY USING THE ELECTROLYTE SOLUTION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-06-06 US disclosed
US-20130130128-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-23 US disclosed
US-8269038-B2 Process for production of sulfonic acid ester WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-09-18 US disclosed
US-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-18 US disclosed
EP-2067770-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER Wako Pure Chemical Industries, Ltd. (JP) 2009-06-10 EP 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-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER SULT1A1, SULT2A1, STS KMT2A 3198/4885MEN1 3623/4885MAPT 4771/4885

“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.