SCHEMBL68524

SCHEMBL68524

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
LTA4H P09960 3/20 0.34
HTR1A P08908 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C8 P10632 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2E1 P05181 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PTPN1 P18031 2/20 0.33
RXRA P19793 1/20 0.33
AKR1C3 P42330 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3698882 0.93 RXRA (0.40) HDAC1HDAC2RXRAAKR1C3
SCHEMBL68430 0.86 HDAC1 (0.39) HDAC1HDAC2LTA4HHTR1ACYP1A2
SCHEMBL66969 0.85 HDAC1 (0.39) HDAC1HDAC2LTA4HHTR1ACYP1A2
SCHEMBL68526 0.85 PPARG (0.36) ALOX5PTPN1SMN1; SMN2
SCHEMBL68766 0.82 FDPS (0.42) AKR1C3SMN1; SMN2
SCHEMBL68384 0.82 MAPT (0.42) HDAC1HDAC2CYP2C8CYP2C9PTPN1
SCHEMBL3699476 0.81 AKR1C3 (0.43) AKR1C3SMN1; SMN2
SCHEMBL3699477 0.81 AKR1C3 (0.43) AKR1C3SMN1; SMN2
SCHEMBL68525 0.80 PTGER1 (0.33) TRPV1
SCHEMBL68767 0.80 KDM4E (0.34) AKR1C3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA HDAC1 394/4885HDAC2 263/4885LTA4H 620/4885

“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.