SCHEMBL4894344

SCHEMBL4894344

CC=CCC/C(C)=C/CC/C(C)=C/C(C)N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 1/20 0.38
UGT1A1 P22309 1/20 0.38
SQLE Q14534 6/20 0.37
KDM1A O60341 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL4894351 1.00 KMT2A (0.42) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL4894340 1.00 KMT2A (0.42) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL17363846 0.83 KMT2A (0.43) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL17363847 0.83 KMT2A (0.43) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL794794 0.80 KMT2A (0.54) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL794795 0.80 KMT2A (0.54) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL4716275 0.76 FNTA (0.42) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL14753530 0.76 KMT2A (0.43) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL21638729 0.74 KDM4E (0.32) KMT2AKDM4E
SCHEMBL2524503 0.74 KMT2A (0.50) KMT2AFNTAFNTBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201510-B2 Compositions and methods for treatment of neurological symptoms associated with alcohol-withdrawal and for convulsive seizure OREGON HEALTH & SCIENCE UNIVERSITY (US) 2019-02-12 US disclosed
US-20080286209-A1 Compositions and Methods for Treatment of Neurological Symptoms Associated with Alcohol-Withdrawal and for Consulsive Seizure OREGON HEALTH & SCIENCE UNIVERSITY (US) 2008-11-20 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 (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-10201510-B2 Compositions and methods for treatment of neurological symptoms associated with alcohol-withdrawal and for convulsive seizure ADH1C, ADH1A, CHRNA10 KMT2A 1291/4885FNTA 56/4885FNTB 68/4885
US-20080286209-A1 Compositions and Methods for Treatment of Neurological Symptoms Associated with Alcohol-Withdrawal and for Consulsive Seizure PNMT, ADH1A, CHRNA10 KMT2A 1287/4885FNTA 45/4885FNTB 71/4885

“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.