SCHEMBL12844409

SCHEMBL12844409

CCCc1cccc(OC)c1OCC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 1/20 0.48
ABCB1 P08183 2/20 0.47
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
BCHE P06276 4/20 0.46
ABCG2 Q9UNQ0 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL22864059 0.89 L3MBTL1 (0.46) SMN1; SMN2KMT2AALDH1A1
SCHEMBL14493826 0.88 SMN1; SMN2 (0.56) SMN1; SMN2ABCB1ALOX5PTGS2BCHE
SCHEMBL7281853 0.87 CA12 (0.55) SMN1; SMN2ABCB1ALOX5PTGS2ABCG2
SCHEMBL1254108 0.86 TAAR1 (0.61) SMN1; SMN2KMT2AABCB1CA12CA1
SCHEMBL7559310 0.85 KMT2A (0.53) SMN1; SMN2KMT2AABCB1BCHEABCG2
SCHEMBL12844541 0.85 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AABCB1ALOX5PTGS2
SCHEMBL21753882 0.84 AOC3 (0.44) SMN1; SMN2KMT2AALOX5KDM4EALDH1A1
SCHEMBL2518861 0.82 SMN1; SMN2 (0.68) SMN1; SMN2KMT2ACA12CA1CA2
SCHEMBL16953073 0.82 KMT2A (0.51) SMN1; SMN2KMT2AALOX5PTGS2BCHE
SCHEMBL29175409 0.82 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AABCB1BCHEABCG2

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 SMN1; SMN2 1371/4885KMT2A 2987/4885ABCB1 1593/4885

“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.