SCHEMBL1914541

SCHEMBL1914541

COc1ccccc1C[C@H](CC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PPARA Q07869 2/20 0.44
CACNA1B Q00975 1/20 0.43
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PPARD Q03181 1/20 0.41
TACR1 P25103 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1914544 1.00 CYP1A2 (0.54) CYP1A2CYP2C9ITGA4ITGB7MTNR1A
SCHEMBL1916009 0.84 PPARG (0.46) PPARAALDH1A1
SCHEMBL1916013 0.84 PPARG (0.46) PPARAALDH1A1
SCHEMBL7385695 0.83 CYP1A2 (0.59) CYP1A2CYP2C9MTNR1AMTNR1BPPARA
SCHEMBL30192155 0.83 CTSS (0.49) PPARA
SCHEMBL9740320 0.81 CTSS (0.51) CYP1A2ALDH1A1
SCHEMBL1915766 0.80 CPA1 (0.60) CYP1A2
SCHEMBL1704171 0.80 CPA1 (0.60) CYP1A2
SCHEMBL1704913 0.80 CPA1 (0.60) CYP1A2
SCHEMBL1915404 0.80 PTPN1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC CYP1A2 180/4885CYP2C9 234/4885ITGA4 4369/4885

“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.