SCHEMBL12844301

SCHEMBL12844301

CCCc1cnn(C)c1-c1ccccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
TLR8 Q9NR97 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
ELANE P08246 1/20 0.38
BCL2L2 Q92843 1/20 0.37
MC4R P32245 1/20 0.37
METAP2 P50579 1/20 0.37
KCNH2 Q12809 1/20 0.37
SREBF2 Q12772 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
SCHEMBL12776208 0.82 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KMT2AGAAMEN1
SCHEMBL12844633 0.81 HIF1A (0.41) ALDH1A1SMN1; SMN2TLR8HIF1AMETAP2
SCHEMBL12844303 0.75 PRMT5 (0.45) GAATLR8SREBF2PDE10A
Ammonia Solution, Strong SCHEMBL2352030 0.75 HTR2A (0.52) ALDH1A1HTT
SCHEMBL12844029 0.71 PDE2A (0.43) ALDH1A1SMN1; SMN2KMT2AGAAMEN1
SCHEMBL25726091 0.70 HMGCR (0.35) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL158584 0.69 TAAR1 (0.67) ALDH1A1GAASIGMAR1KCNH2HRH3
SCHEMBL29467401 0.69 TAAR1 (0.67) ALDH1A1GAASIGMAR1KCNH2HRH3
SCHEMBL15201535 0.67 TAAR1 (0.64) ALDH1A1GAASIGMAR1KCNH2HRH3
SCHEMBL15201757 0.67 TAAR1 (0.64) ALDH1A1GAASIGMAR1KCNH2HRH3

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 ALDH1A1 148/4885SMN1; SMN2 1371/4885KMT2A 2987/4885

“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.