SCHEMBL13336372

SCHEMBL13336372

CCCCOc1cc(O)c(C(=O)OC)cc1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MAOB P27338 4/20 0.43
LTB4R Q15722 2/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
SMPD1 P17405 1/20 0.43
CA9 Q16790 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL10268423 0.89 TSHR (0.53) HTTCYP3A4TSHRL3MBTL1MAPT
SCHEMBL20415948 0.82 ALDH1A1 (0.48) HTTTSHRL3MBTL1MAPTMAOB
SCHEMBL12765851 0.82 HSP90AA1 (0.40) TSHRL3MBTL1SMPD1CA9TDP1
SCHEMBL13308876 0.78 MAOB (0.63) L3MBTL1MAPTMAOBSMPD1TDP1
SCHEMBL10269074 0.78 TDP1 (0.43) HTTCYP3A4TSHRL3MBTL1MAPT
SCHEMBL383838 0.77 HTT (0.57) HTTCYP3A4TSHRL3MBTL1POLB
SCHEMBL5926354 0.77 HTT (0.54) HTTPOLBMAPTSMPD1CA9
SCHEMBL3661788 0.77 GAA (0.43) MAPTCA9CA12CA1CA2
SCHEMBL14221843 0.76 TSHR (0.56) CYP3A4TSHRL3MBTL1MAPTCA9
SCHEMBL28715731 0.76 MAOA (0.53) CYP3A4TSHRL3MBTL1MAPTMAOB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152184-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-06-17 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-20100152184-A1 PHARMACEUTICAL COMPOUNDS RPP30, RPLP1, NR5A1 HTT 415/4885CYP3A4 954/4885TSHR 1425/4885

“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.