SCHEMBL2806464

SCHEMBL2806464

CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)c2ccccc2n1Cc1cc(OCc2ccccc2)cc(OCC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.41
EDNRB P24530 4/20 0.39
EDNRA P25101 4/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
PPARG P37231 5/20 0.38
FFAR1 O14842 1/20 0.38
FOLH1 Q04609 1/20 0.37
KMT2A Q03164 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL2806043 0.93 SERPINE1 (0.41) SERPINE1KDM4ELMNAGAAMAPT
SCHEMBL2806740 0.91 SERPINE1 (0.49) SERPINE1EDNRBEDNRAHDAC6HDAC1
SCHEMBL2808120 0.90 SERPINE1 (0.43) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2810329 0.88 SERPINE1 (0.42) SERPINE1EDNRBEDNRAKDM4ELMNA
SCHEMBL2807163 0.87 SERPINE1 (0.53) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2806679 0.85 SERPINE1 (0.51) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2807519 0.84 SERPINE1 (0.50) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2808138 0.83 SERPINE1 (0.47) SERPINE1EDNRBEDNRAKDM4ELMNA
SCHEMBL2807202 0.82 PTGER4 (0.44) SERPINE1PPARGFOLH1KMT2AMDM2
SCHEMBL2806705 0.82 SERPINE1 (0.50) SERPINE1EDNRBEDNRAPPARGFOLH1

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 6 patents. 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
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
EP-2081894-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SmithKline Beecham Corporation (US) 2009-07-29 EP disclosed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 WO disclosed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 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 (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 4215/4885EDNRB 452/4885EDNRA 211/4885

“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.