SCHEMBL3685249

SCHEMBL3685249

CCc1ccc(/C=C/C(=O)O)c(CC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.53
▸ PTGER3 P43115 8/20 0.49
▸ PTGER2 P43116 7/20 0.49
▸ PTGDR Q13258 5/20 0.49
▸ PTGER4 P35408 5/20 0.49
▸ TBXA2R P21731 4/20 0.49
▸ PTGFR P43088 3/20 0.49
▸ PTGIR P43119 2/20 0.48
▸ PTGER1 P34995 2/20 0.48
▸ PTGS2 P35354 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MIF P14174 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ EIF2AK2 P19525 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42

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
SCHEMBL3685251 1.00 EGFR (0.53) EGFRPTGER3PTGER2PTGDRPTGER4
SCHEMBL20531196 0.85 PTGS1 (0.46) EGFRPTGER3PTGER2PTGDRPTGER4
SCHEMBL9613260 0.85 ESR1 (0.55) EGFRPTGER3PTGER2PTGDRPTGER4
SCHEMBL8575027 0.83 EIF2AK2 (0.47) EGFRPTGER3PTGER2PTGDRPTGER4
SCHEMBL9390825 0.83 PTGER3 (0.52) EGFRPTGER3PTGER2PTGDRPTGER4
SCHEMBL7134072 0.83 EGFR (0.57) EGFRPTGER3PTGER2PTGDRPTGER4
SCHEMBL9447849 0.83 MIF (0.60) EGFRPTGER3PTGER2PTGDRPTGER4
SCHEMBL1174443 0.83 NPSR1 (0.49) EGFRPTGER3PTGER2PTGDRPTGER4
SCHEMBL1174440 0.83 NPSR1 (0.49) EGFRPTGER3PTGER2PTGDRPTGER4
SCHEMBL10350184 0.83 MIF (0.60) EGFRPTGER3PTGER2PTGDRPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795310-B2 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2010-09-14 — — US disclosed
EP-1781303-A4 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX INC (US) 2008-07-02 — — EP disclosed
EP-1781303-A1 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS CombinatoRx, Incorporated (US) 2007-05-09 — — EP disclosed
US-20060069161-A1 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2006-03-30 — — US disclosed
WO-2006004803-A1 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX, INCORPORATED (US) 2006-01-12 — — WO disclosed
US-4026896-A ANTIALLERGENS KISSEI YAKUHIN KOGYO KABUSHIKI KAISHA (KISSEI PHARMACEUTICAL CO. LTD.) (JA) 1977-05-31 — — 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-20060069161-A1 Methods and reagents for the treatment of metabolic disorders LIPC, PNLIP, GOT2 EGFR 3982/4885PTGER3 3388/4885PTGER2 4028/4885

“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.

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