SCHEMBL12844281

SCHEMBL12844281

CCCc1ccc(OC)c(OC)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.51
KDM1A O60341 2/20 0.45
MAOB P27338 2/20 0.45
AOC3 Q16853 1/20 0.44
HMGCR P04035 1/20 0.42
MAOA P21397 1/20 0.39
KDM1B Q8NB78 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ALOX5 P09917 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL14370492 0.85 KDM1A (0.47) SLC2A1KDM1AMAOBAOC3MAOA
SCHEMBL13064596 0.85 POLB (0.45) SLC2A1HMGCRKDM4EALDH1A1POLB
SCHEMBL10959824 0.84 AOC3 (0.48) SLC2A1AOC3
SCHEMBL10961221 0.84 SLC2A1 (0.64) SLC2A1KDM1AMAOBAOC3MAOA
SCHEMBL5712533 0.84 TAAR1 (0.50) SLC2A1KDM1AMAOBAOC3KDM4E
SCHEMBL5712626 0.84 SLC2A1 (0.50) SLC2A1KDM1AMAOBAOC3MAOA
SCHEMBL10617794 0.84 SLC2A1 (0.50) SLC2A1KDM1AMAOBAOC3MAOA
SCHEMBL10618546 0.84 SLC2A1 (0.50) SLC2A1KDM1AMAOBAOC3MAOA
SCHEMBL4961141 0.82 AOC3 (0.61) AOC3HMGCRKDM4EALDH1A1POLB
SCHEMBL27613891 0.82 AOC3 (0.61) AOC3HMGCRKDM4EALDH1A1POLB

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 SLC2A1 669/4885KDM1A 2256/4885MAOB 198/4885

“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.