SCHEMBL10034064

SCHEMBL10034064

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
TP53 P04637 1/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
EPHX2 P34913 4/20 0.60
HTT P42858 2/20 0.59
HPGD P15428 1/20 0.59
FAAH O00519 2/20 0.53
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 1/20 0.50
ASAH1 Q13510 1/20 0.49

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
Miramistin Ion SCHEMBL2238282 1.00 DNM1 (0.62) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL11305761 1.00 DNM1 (0.62) DNM1MEN1KMT2ATP53MAPK1
Miramistin Ion SCHEMBL2236560 0.99 MEN1 (0.63) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL5481757 0.99 MEN1 (0.63) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL5164193 0.99 MEN1 (0.63) DNM1MEN1KMT2ATP53MAPK1
Miramistin Ion SCHEMBL23922700 0.99 MEN1 (0.62) DNM1MEN1KMT2ATP53MAPK1
Miramistin Ion SCHEMBL17530472 0.97 MEN1 (0.64) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL7091153 0.94 EPHX2 (0.62) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL7089077 0.94 EPHX2 (0.62) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL10108787 0.93 EPHX2 (0.67) DNM1MEN1KMT2ATP53MAPK1

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
US-8999298-B2 Dental oral composition NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2015-04-07 US disclosed
US-8147807-B2 Oral composition for dental purposes NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2012-04-03 US disclosed
US-20100330005-A1 DENTAL ORAL COMPOSITION KURARAY MEDICAL INC. (JP) 2010-12-30 US disclosed
US-20100240714-A1 ORAL COMPOSITION FOR DENTAL PURPOSES NAT. UNI. CORP. OKAYAMA UNIVERSITY (JP) 2010-09-23 US disclosed
EP-2044926-A1 ORAL COMPOSITION FOR DENTAL PURPOSES National University Corporation Okayama University (JP) 2009-04-08 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 (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-20100330005-A1 DENTAL ORAL COMPOSITION TAS2R42, TAS2R43, PPM1G DNM1 1471/4885MEN1 4469/4885KMT2A 3692/4885
US-20100240714-A1 ORAL COMPOSITION FOR DENTAL PURPOSES DDOST, PPM1G, PHOSPHO1 DNM1 2288/4885MEN1 4652/4885KMT2A 4167/4885

“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.