SCHEMBL3882890

SCHEMBL3882890

COC(=O)CCc1ccc(OCC2CCCC2)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
POLQ O75417 1/20 0.38
HPSE Q9Y251 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TRPA1 O75762 3/20 0.38
MAP3K11 Q16584 1/20 0.38
TNIK Q9UKE5 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
ROCK2 O75116 2/20 0.37
C5AR1 P21730 1/20 0.37
ROCK1 Q13464 1/20 0.37
MAOB P27338 1/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 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
SCHEMBL3883888 0.90 THRA (0.44) MAPK14PIK3CAMTORTRPA1TRPM8
SCHEMBL3882442 0.89 THRA (0.46) MAPK14PIK3CAMTORTRPA1TRPM8
SCHEMBL3679980 0.88 MAPK14 (0.43) MAPK14HPSETRPA1MAP3K11TNIK
SCHEMBL3882064 0.88 MAPK14 (0.42) MAPK14PIK3CAMTORHPSEMEN1
SCHEMBL3881928 0.88 MAPK14 (0.42) MAPK14PIK3CAMTORHPSEMEN1
SCHEMBL3883830 0.86 MEN1 (0.40) MTORMEN1KMT2AMAP3K11C5AR1
SCHEMBL3888746 0.85 HTT (0.41) MEN1KMT2AC5AR1MAOBS1PR1
SCHEMBL3884960 0.83 MEN1 (0.41) MAPK14MEN1KMT2AC5AR1HRH3
SCHEMBL3883719 0.83 CCNC (0.48) MEN1KMT2ACCNCCDK8C5AR1
SCHEMBL3884978 0.83 MEN1 (0.42) MTORMEN1KMT2AC5AR1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US claimed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP claimed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US claimed
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 MAPK14 1861/4885PIK3CA 1609/4885MTOR 2469/4885

“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.