SCHEMBL3699476

SCHEMBL3699476

CCCCOc1cc(/C=C/C(=O)O)ccc1-c1csc(CNCC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.43
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.38
ACHE P22303 4/20 0.37
AKR1C2 P52895 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.34
TOP2A P11388 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3699477 1.00 AKR1C3 (0.43) AKR1C3KDM4EKMT2AGAAPOLB
SCHEMBL68766 0.92 FDPS (0.42) AKR1C3KDM4EGAAACHEALDH1A1
SCHEMBL68768 0.88 KDM4E (0.34) AKR1C3KDM4EKMT2AGAAMEN1
SCHEMBL68767 0.88 KDM4E (0.34) AKR1C3KDM4EKMT2AGAAMEN1
SCHEMBL3698882 0.83 RXRA (0.40) AKR1C3THRBLMNA
SCHEMBL5198621 0.83 KDM4E (0.43) AKR1C3KDM4EKMT2AGAAPOLB
SCHEMBL68525 0.82 PTGER1 (0.33) KDM4EALDH1A1
SCHEMBL68526 0.82 PPARG (0.36) KDM4EALDH1A1ALOX15SMN1; SMN2
SCHEMBL68524 0.81 HDAC1 (0.35) AKR1C3SMN1; SMN2
SCHEMBL69839 0.78 AKR1C3 (0.43) AKR1C3KDM4EKMT2AGAAPOLB

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-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
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 (2 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-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA AKR1C3 931/4885KDM4E 3263/4885KMT2A 3225/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA AKR1C3 931/4885KDM4E 3263/4885KMT2A 3225/4885

“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.