SCHEMBL12510345

SCHEMBL12510345

CCc1[nH]c2ccc(O)cc2c1SC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
HTR7 P34969 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR1D P28221 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR3A P46098 1/20 0.38
HTR6 P50406 1/20 0.38
ALOX5 P09917 5/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL167786 0.86 TDP1 (0.37) GAAHTR7TDP1HSD17B10CYP1A2
SCHEMBL13698347 0.83 GAA (0.39) GAAHTR7TDP1HSD17B10CYP1A2
SCHEMBL12648796 0.83 ALDH1A1 (0.45) GAAHTR7TDP1HSD17B10CYP1A2
SCHEMBL14421179 0.83 CYP2C9 (0.35) GAAHTR7TDP1HSD17B10CYP1A2
SCHEMBL9581649 0.81 ALOX5 (0.38) GAAHTR7TDP1HSD17B10CYP1A2
SCHEMBL1193860 0.81 GAA (0.48) GAAHSD17B10ALOX5MEN1KMT2A
SCHEMBL13698343 0.80 HTR6 (0.52) HTR7HSD17B10HTR1DHTR6HTR2A
SCHEMBL19193144 0.76 HTR7 (0.53) GAAHTR7TDP1HSD17B10CYP1A2
SCHEMBL9209940 0.69 MEN1 (0.54) GAAHTR7TDP1HSD17B10CYP1A2
SCHEMBL26989650 0.69 HTR6 (0.68) GAAHTR7TDP1HSD17B10CYP1A2

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-7977359-B2 5-lipdxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-20090192171-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors AMIRA PHARMACEUTICALS, INC. (US) 2009-07-30 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-20090192171-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors ALOX5, ALOX15B, ALOX15 GAA 2900/4885HTR7 1680/4885TDP1 1428/4885

“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.