SCHEMBL3882371

SCHEMBL3882371

COC(=O)CCc1cc(-c2ccc3[nH]ccc3c2)c(OCC2CCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CHEK1 O14757 1/20 0.35
MTOR P42345 1/20 0.35
ACHE P22303 2/20 0.34
HTR4 Q13639 2/20 0.34
ABL1 P00519 1/20 0.34
POLQ O75417 1/20 0.33
CYP19A1 P11511 1/20 0.33
ENPP2 Q13822 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
VCP P55072 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL3888470 0.91 THRA (0.46) THRATHRBMTORACHEHTR4
SCHEMBL3888474 0.91 THRA (0.46) THRATHRBMTORACHEHTR4
SCHEMBL3682491 0.89 CHEK1 (0.37) THRATHRBCHEK1ABL1ENPP2
SCHEMBL3881793 0.88 THRA (0.36) THRATHRBCHEK1MTORACHE
SCHEMBL3884514 0.86 CCNC (0.43) THRATHRBCHEK1CYP19A1HRH3
SCHEMBL3686021 0.86 THRA (0.49) THRATHRBMTORACHEHTR4
SCHEMBL3677105 0.86 THRA (0.38) THRATHRBMTORACHEHTR4
SCHEMBL3882329 0.86 THRA (0.38) THRATHRBMTORACHEHTR4
SCHEMBL3685120 0.86 THRA (0.40) THRATHRBMTORACHEHTR4
SCHEMBL3893664 0.85 PTGS2 (0.39) THRATHRBMTORACHEHTR4

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 THRA 1720/4885THRB 3187/4885CHEK1 2850/4885

“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.