SCHEMBL10034055

SCHEMBL10034055

CCCCCCCC/C=C/CCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.67
FAAH O00519 3/20 0.65
CNR1 P21554 4/20 0.63
CNR2 P34972 2/20 0.63
KDM4E B2RXH2 1/20 0.57
SOAT2 O75908 1/20 0.55
SOAT1 P35610 1/20 0.55
GPR119 Q8TDV5 1/20 0.54
DNM1 Q05193 2/20 0.54
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL10108787 1.00 EPHX2 (0.67) EPHX2FAAHCNR1CNR2KDM4E
Hydrochloric Acid SCHEMBL28383398 0.99 EPHX2 (0.65) EPHX2FAAHCNR1CNR2KDM4E
SCHEMBL17453301 0.98 EPHX2 (0.64) EPHX2FAAHCNR1CNR2KDM4E
SCHEMBL10108760 0.95 EPHX2 (0.59) EPHX2FAAHCNR1CNR2KDM4E
SCHEMBL10108780 0.93 EPHX2 (0.67) EPHX2FAAHCNR1CNR2KDM4E
Miramistin Ion SCHEMBL2238282 0.93 DNM1 (0.62) EPHX2FAAHCNR1CNR2DNM1
SCHEMBL10034064 0.93 DNM1 (0.62) EPHX2FAAHCNR1CNR2DNM1
SCHEMBL11305761 0.93 DNM1 (0.62) EPHX2FAAHCNR1CNR2DNM1
Miramistin Ion SCHEMBL23922700 0.92 MEN1 (0.62) EPHX2FAAHCNR1CNR2DNM1
Miramistin Ion SCHEMBL2236560 0.92 MEN1 (0.63) EPHX2FAAHCNR1CNR2DNM1

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 EPHX2 3870/4885FAAH 4425/4885CNR1 3904/4885
US-20100240714-A1 ORAL COMPOSITION FOR DENTAL PURPOSES DDOST, PPM1G, PHOSPHO1 EPHX2 2949/4885FAAH 3591/4885CNR1 3606/4885

“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.