Sugi Predict

Sugi Predict / Compounds / SCHEMBL5620136

SCHEMBL5620136

SCHEMBL5620136

CCOC(=O)c1cccc(C2=C(c3cc(C)ccc3O)CCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.49
▸ MAPT P10636 1/20 0.42
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL4154407 0.89 CYP1A2 (0.47) CYP1A2MAPTCA12CA1CA2
SCHEMBL4147291 0.89 PTGER1 (0.49) CYP1A2MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL4922618 0.87 CYP1A2 (0.47) CYP1A2MAPTCA12CA1CA2
SCHEMBL4922487 0.87 CYP1A2 (0.47) CYP1A2MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL5620845 0.86 CYP2C9 (0.38) CYP1A2MAPTCA12CA1CA2
SCHEMBL5619721 0.85 CYP1A2 (0.45) CYP1A2MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL4154611 0.85 CYP1A2 (0.47) CYP1A2MAPTCA12CA1CA2
SCHEMBL4924175 0.85 CYP1A2 (0.44) CYP1A2MAPTPTGER1KDM4EMEN1
SCHEMBL5620507 0.82 PTGER1 (0.51) CYP1A2MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL5620890 0.80 PTGER1 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19PTGER1

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-7232821-B2 (2-((2-alkoxy)-phenyl) -cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2007-06-19 — — US disclosed
US-7232821-B2 (2-((2-alkoxy)-phenyl) -cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2007-06-19 — — US disclosed
US-7232821-B2 (2-((2-alkoxy)-phenyl) -cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2007-06-19 — — US disclosed
US-20050239802-A1 (2-((2-alkoxy)-phenyl)-cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2005-10-27 — — US disclosed
EP-1492757-A1 (2-((2-ALKOXY)-PHENYL)-CYCLOPENT-1-ENYL) AROMATIC CARBO- AND HETEROCYCLIC CARBOXYLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-05 — — EP disclosed
WO-2003084917-A1 (2-((2-ALKOXY) -PHENYL) -CYCLOPENT-1-ENYL) AROMATIC CARBO AND HETEROCYCLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-16 — — WO 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-20050239802-A1 (2-((2-alkoxy)-phenyl)-cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives CYP2C9, CYP2C19, CNR1 CYP1A2 11/4885MAPT 3958/4885CA12 2268/4885

“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.