SCHEMBL15978587

SCHEMBL15978587

CN(C)CCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCN(C)C)cc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
ALDH1A1 P00352 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
HRH3 Q9Y5N1 4/20 0.65
LSS P48449 1/20 0.62
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
LTA4H P09960 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CACNA1B Q00975 1/20 0.50
APP P05067 1/20 0.49
MCHR1 Q99705 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
SCHEMBL9671156 0.89 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL15977862 0.88 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL15978586 0.88 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL21363068 0.86 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL17481791 0.86 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL5221545 0.85 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL492168 0.85 CACNA1B (0.66) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL17481794 0.85 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL8226392 0.82 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL3074697 0.80 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2HRH3LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170164614-A1 ANTIMICROBIAL MATERIALS AND METHODS UNIV FLORIDA (US) 2017-06-15 US disclosed
US-9549549-B2 Antimicrobial materials and methods STC.UNM (US) 2017-01-24 US disclosed
US-20140242148-A1 ANTIMICROBIAL MATERIALS AND METHODS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-08-28 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-20170164614-A1 ANTIMICROBIAL MATERIALS AND METHODS AOC3, OGFOD1, DDT KDM4E 2673/4885ALDH1A1 2629/4885SMN1; SMN2 4458/4885
US-20140242148-A1 ANTIMICROBIAL MATERIALS AND METHODS AOC3, OGFOD1, DDT KDM4E 2673/4885ALDH1A1 2629/4885SMN1; SMN2 4458/4885

“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.