SCHEMBL2083465

SCHEMBL2083465

CCC(=Cc1ccc(-c2cc(NC)ccc2C)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.42
MAPK14 Q16539 10/20 0.39
ESR1 P03372 1/20 0.39
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
LRRK2 Q5S007 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC1A3 P43003 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
SCHEMBL2083464 1.00 TBXAS1 (0.42) TBXAS1MAPK14ESR1EPHX2PPARG
SCHEMBL2085567 0.80 TBXAS1 (0.46) TBXAS1ESR1EPHX2PPARGKDM4E
SCHEMBL2085564 0.80 TBXAS1 (0.46) TBXAS1ESR1EPHX2PPARGKDM4E
SCHEMBL4221575 0.80 TBXAS1 (0.46) TBXAS1ESR1EPHX2PPARGKDM4E
SCHEMBL4611043 0.76 PKM (0.48) ESR1PPARGKDM4EMEN1LMNA
SCHEMBL4611046 0.76 PKM (0.48) ESR1PPARGKDM4EMEN1LMNA
SCHEMBL5173409 0.74 TBXAS1 (0.58) TBXAS1ESR1EPHX2PPARGKDM4E
SCHEMBL2083461 0.74 CA12 (0.53) ESR1NPC1MAPTRAB9A
SCHEMBL9061442 0.72 TP53 (0.59) TBXAS1ESR1EPHX2PPARGMEN1
SCHEMBL2085461 0.72 SMN1; SMN2 (0.36) TBXAS1MAPK14ESR1EPHX2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD TBXAS1 290/4885MAPK14 1479/4885ESR1 231/4885

“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.