SCHEMBL68707

SCHEMBL68707

CCOc1cc(C=O)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
TACR2 P21452 1/20 0.44
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.41
FDPS P14324 1/20 0.40
TSHR P16473 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
GAA P10253 1/20 0.37
TRIM24 O15164 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TOP2A P11388 1/20 0.35

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
SCHEMBL25257755 0.90 ALDH1A1 (0.42) ALDH1A1TACR2HPGDTDP1L3MBTL1
SCHEMBL30517787 0.90 ALDH1A1 (0.42) ALDH1A1TACR2HPGDTDP1L3MBTL1
SCHEMBL25861637 0.85 FDPS (0.38) ALDH1A1TACR2HPGDTDP1L3MBTL1
SCHEMBL30101140 0.84 ALDH1A1 (0.53) ALDH1A1HPGDTDP1MAPTNPSR1
SCHEMBL25300213 0.84 ALDH1A1 (0.53) ALDH1A1HPGDTDP1MAPTNPSR1
SCHEMBL25254401 0.81 ALDH1A1 (0.38) ALDH1A1TACR2HPGDTDP1KDM4E
SCHEMBL21358544 0.80 LPL (0.35) ALDH1A1TDP1FDPSTSHRRXFP1
SCHEMBL26688933 0.78 ALDH1A1 (0.35) ALDH1A1TACR2HPGDMAPTFDPS
SCHEMBL30757460 0.78 ALDH1A1 (0.35) ALDH1A1TACR2HPGDMAPTFDPS
SCHEMBL29216624 0.78 LPL (0.41) ALDH1A1HPGDTDP1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RES & DEV (FR) 2013-11-14 US disclosed
US-8513297-B2 Biaromatic compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-08-20 US disclosed
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-05-17 US disclosed
US-8129416-B2 Biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-03-06 US disclosed
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed
US-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-31 US disclosed
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP disclosed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 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 (3 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-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA ALDH1A1 624/4885TACR2 890/4885HPGD 481/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA ALDH1A1 486/4885TACR2 895/4885HPGD 604/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA ALDH1A1 486/4885TACR2 895/4885HPGD 604/4885

“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.