SCHEMBL325089

SCHEMBL325089

Cc1cc(C)n(CCOC=O)n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.53
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GLA P06280 1/20 0.50
GAA P10253 2/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.41
APAF1 O14727 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.39

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
SCHEMBL17489172 0.80 GLS (0.62) GLSKDM4EALDH1A1GLAGAA
SCHEMBL8270904 0.78 GLS (0.60) GLSKDM4EALDH1A1GLAGAA
SCHEMBL17489160 0.77 GLS (0.75) GLSKDM4EALDH1A1GLAGAA
SCHEMBL2551012 0.77 GLS (0.58) GLSKDM4EALDH1A1GLAGAA
Water SCHEMBL2563274 0.75 GLS (0.56) GLSKDM4EALDH1A1GLAGAA
SCHEMBL27771434 0.75 KDM4E (0.55) GLSKDM4EALDH1A1GLAGAA
SCHEMBL2845116 0.74 GLS (0.64) GLSKDM4EALDH1A1GLAGAA
SCHEMBL5090163 0.73 TSHR (0.54) GLSKDM4EALDH1A1GLAGAA
SCHEMBL18157878 0.73 GLS (0.69) GLSKDM4EALDH1A1GLAGAA
SCHEMBL5260252 0.72 GLS (0.53) GLSKDM4EALDH1A1GLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 GLS 1118/4885KDM4E 3620/4885ALDH1A1 2057/4885

“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.