SCHEMBL12775752

SCHEMBL12775752

CCOc1c(CC(C)(C)C)cccc1OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RIPK1 Q13546 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
BCHE P06276 3/20 0.41
GSK3A P49840 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL10190891 0.86 RIPK1 (0.49) KMT2ASMN1; SMN2RIPK1KDM4EALDH1A1
SCHEMBL12775941 0.84 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2RIPK1ALDH1A1BCHE
SCHEMBL7559310 0.82 KMT2A (0.53) KMT2ASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL2518861 0.80 SMN1; SMN2 (0.68) KMT2ASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL16953073 0.79 KMT2A (0.51) KMT2ASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL29175409 0.79 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL12844409 0.79 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2KDM4EALDH1A1BCHE
SCHEMBL10190866 0.77 RIPK1 (0.62) KMT2ARIPK1KDM4EALDH1A1TP53
SCHEMBL1254107 0.77 KMT2A (0.55) KMT2ASMN1; SMN2KDM4EALDH1A1BCHE
SCHEMBL1254108 0.77 TAAR1 (0.61) KMT2ASMN1; SMN2ABCB1

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-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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 (1 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK KMT2A 2987/4885SMN1; SMN2 1371/4885RIPK1 3349/4885

“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.