SCHEMBL2806169

SCHEMBL2806169

Cc1ccc(-c2ccc([C]=O)cc2)cc1Cn1c(C(=O)OCc2ccccc2)c(-c2ccc(C(C)(C)C)cc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.42
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
PPARG P37231 6/20 0.38
EDNRB P24530 2/20 0.37
EDNRA P25101 2/20 0.37
FOLH1 Q04609 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
MAPK8 P45983 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL2805537 0.91 SERPINE1 (0.46) SERPINE1MEN1ALDH1A1KMT2AUSP2
SCHEMBL2805766 0.88 SERPINE1 (0.45) SERPINE1MEN1ALDH1A1KMT2AUSP2
SCHEMBL2805777 0.87 SERPINE1 (0.42) SERPINE1MEN1ALDH1A1KMT2APPARG
SCHEMBL2808105 0.87 SERPINE1 (0.43) SERPINE1MEN1ALDH1A1KMT2AUSP2
SCHEMBL2807928 0.84 KDM4E (0.44) SERPINE1MEN1ALDH1A1KMT2AUSP2
SCHEMBL2808191 0.81 SERPINE1 (0.45) SERPINE1MEN1ALDH1A1KMT2AUSP2
SCHEMBL2806589 0.81 SERPINE1 (0.43) SERPINE1MEN1ALDH1A1KMT2AUSP2
SCHEMBL13168276 0.81 PIN1 (0.42) SERPINE1MEN1ALDH1A1KMT2APPARG
SCHEMBL2810186 0.80 SERPINE1 (0.54) SERPINE1MEN1ALDH1A1KMT2AUSP2
SCHEMBL2807914 0.80 SERPINE1 (0.54) SERPINE1MEN1ALDH1A1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 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-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators PPARD, PPARA, PPARG SERPINE1 4215/4885MEN1 4809/4885ALDH1A1 402/4885

“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.