SCHEMBL15977862

SCHEMBL15977862

CCN(C)CCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCN(C)C)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HRH3 Q9Y5N1 4/20 0.53
LSS P48449 1/20 0.51
MCHR1 Q99705 2/20 0.51
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
LTA4H P09960 1/20 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
SCHEMBL15977865 0.91 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL15978587 0.88 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL10974363 0.86 CHRNB2 (0.55) LSSMCHR1CHRNB2CHRNA4CYP1A2
SCHEMBL17975069 0.79 HRH3 (0.49) HRH3MCHR1CHRNB2CHRNA4KEAP1
SCHEMBL9671156 0.79 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL21601511 0.79 MMP2 (0.52) KDM4EALDH1A1SMN1; SMN2MCHR1CHRNB2
SCHEMBL15978586 0.78 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL20464896 0.77 KCNH2 (0.49) MCHR1CHRNB2CHRNA4
SCHEMBL14924417 0.76 KCNH2 (0.67) KDM4EALDH1A1SMN1; SMN2HRH3CHRNB2
SCHEMBL17481791 0.76 KDM4E (0.57) 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.