SCHEMBL4970083

SCHEMBL4970083

COC(=O)C=Cc1ccc(I)cc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.63
PTGER4 P35408 4/20 0.51
PTGER2 P43116 4/20 0.51
PTGER1 P34995 3/20 0.51
PTGER3 P43115 3/20 0.51
MAP3K7 O43318 1/20 0.50
TAB1 Q15750 1/20 0.50
BACE1 P56817 1/20 0.49
AKR1B10 O60218 2/20 0.48
AKR1B1 P15121 2/20 0.48
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
APP P05067 1/20 0.43

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
SCHEMBL1270178 1.00 HDAC8 (0.63) HDAC8PTGER4PTGER2PTGER1PTGER3
SCHEMBL9199949 0.88 HDAC8 (0.65) HDAC8PTGER4PTGER2PTGER1PTGER3
SCHEMBL3409444 0.87 PTGER4 (0.67) HDAC8PTGER4PTGER2PTGER1PTGER3
SCHEMBL3409441 0.87 PTGER4 (0.67) HDAC8PTGER4PTGER2PTGER1PTGER3
SCHEMBL7770104 0.84 PTGER4 (0.70) HDAC8PTGER4PTGER2PTGER1PTGER3
SCHEMBL19651747 0.84 PTGER4 (0.70) HDAC8PTGER4PTGER2PTGER1PTGER3
SCHEMBL18559977 0.81 HDAC8 (0.69) HDAC8BACE1AKR1B10AKR1B1KDM4E
SCHEMBL31690782 0.78 HDAC8 (0.54) HDAC8PTGER4PTGER2PTGER1PTGER3
SCHEMBL1269190 0.78 KDM4E (0.57) KDM4EALDH1A1HPGDHTTAPP
SCHEMBL1270179 0.78 HDAC8 (0.45) HDAC8PTGER4PTGER2PTGER1PTGER3

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
EP-1781274-B1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-11-05 EP disclosed
US-20070207175-A1 Biaromatic compound activators of PPARgamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-06 US disclosed
CN-101014328-A Novel biaromatic compounds which activate receptors of PPAR type and their use in cosmetic or pharmaceutical compositions GALDERMA RES & DEV (FR) 2007-08-08 CN disclosed
EP-1781274-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP disclosed
WO-2006018325-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 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-20070207175-A1 Biaromatic compound activators of PPARgamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD HDAC8 415/4885PTGER4 424/4885PTGER2 405/4885

“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.