SCHEMBL3534745

SCHEMBL3534745

O=C(O)/C=C/c1ccc(Sc2ccc(/C=C/C(=O)O)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 7/20 0.55
ITGB2 P05107 6/20 0.55
ICAM1 P05362 6/20 0.55
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
APP P05067 3/20 0.47
CA12 O43570 2/20 0.47
AKR1B10 O60218 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
AKR1B1 P15121 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
DPP4 P27487 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47

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
SCHEMBL3534746 1.00 ITGAL (0.55) ITGALITGB2ICAM1KDM4EHSD17B10
SCHEMBL3536731 0.86 TTR (0.51) ITGALITGB2ICAM1KDM4EAPP
SCHEMBL5219915 0.83 HDAC1 (0.53) ITGALITGB2ICAM1KDM4EHSD17B10
SCHEMBL5219928 0.83 HDAC1 (0.53) ITGALITGB2ICAM1KDM4EHSD17B10
SCHEMBL3536725 0.82 APP (0.52) ITGALITGB2ICAM1KDM4EAPP
SCHEMBL3536728 0.82 APP (0.52) ITGALITGB2ICAM1KDM4EAPP
Hydrochloric Acid SCHEMBL6821851 0.81 HDAC1 (0.52) ITGALITGB2ICAM1KDM4EHSD17B10
SCHEMBL692665 0.81 KDM4E (0.50) ITGALITGB2ICAM1KDM4EHSD17B10
SCHEMBL692664 0.81 KDM4E (0.50) ITGALITGB2ICAM1KDM4EHSD17B10
SCHEMBL18530468 0.79 NPSR1 (0.50) KDM4EHSD17B10APPCA12AKR1B10

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-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 US disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 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-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD ITGAL 3837/4885ITGB2 3920/4885ICAM1 4572/4885

“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.