SCHEMBL9924108

SCHEMBL9924108

[C-]#[N+]c1ccc(C(C)(c2ccc(OCc3ccccn3)cn2)C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.59
ADAMTS4 O75173 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP10 Q53GL7 1/20 0.36
MAOB P27338 1/20 0.35
SYK P43405 4/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL9924109 0.87 ALOX5AP (0.63) ALOX5APADAMTS4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL708956 0.86 ALOX5AP (0.62) ALOX5APADAMTS4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14397112 0.85 ALOX5AP (0.61) ALOX5APADAMTS4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL707618 0.83 ALOX5AP (0.62) ALOX5APADAMTS4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL480305 0.83 ALOX5AP (0.69) ALOX5APADAMTS4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14275821 0.83 ALOX5AP (0.66) ALOX5APADAMTS4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL708520 0.82 ALOX5AP (0.58) ALOX5APADAMTS4PARP10MAOBHDAC3
SCHEMBL704993 0.81 ALOX5AP (0.61) ALOX5APADAMTS4ALDH1A1KDM4EPARP10
SCHEMBL708920 0.81 ALOX5AP (0.59) ALOX5APADAMTS4ALDH1A1PARP10MAOB
SCHEMBL2793393 0.81 ALOX5AP (0.61) ALOX5APADAMTS4ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 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-20120149674-A1 Diaryl Substituted Alkanes ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885ADAMTS4 1701/4885ALDH1A1 328/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885ADAMTS4 1701/4885ALDH1A1 328/4885

“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.