SCHEMBL2810201

SCHEMBL2810201

Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.54
MCL1 Q07820 2/20 0.52
MAOB P27338 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PTGER4 P35408 3/20 0.48
PTGER3 P43115 1/20 0.48
ENPP3 O14638 1/20 0.48
ENPP1 P22413 1/20 0.48
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
FFAR1 O14842 3/20 0.46
F9 P00740 1/20 0.45

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
SCHEMBL16319058 0.88 ALOX5 (0.53) GSTP1MAOBLMNACYP1A2PTGS1
SCHEMBL6773228 0.81 HPGD (0.50) LMNACYP1A2PTGS1GAAMAPT
SCHEMBL6026013 0.81 IKBKE (0.51) GSTP1MAOBLMNACYP1A2PTGS1
SCHEMBL695873 0.79 S1PR1 (0.57) GSTP1MAOBLMNACYP1A2PTGS1
SCHEMBL6192316 0.78 LMNA (0.63) GSTP1MCL1MAOBLMNACYP1A2
SCHEMBL22219303 0.78 LMNA (0.59) GSTP1MCL1MAOBLMNACYP1A2
SCHEMBL13168626 0.78 CYP2D6 (0.50) CYP1A2CYP2C19LTA4HRAB9ASMN1; SMN2
SCHEMBL197017 0.78 LMNA (0.72) GSTP1MCL1MAOBLMNACYP1A2
SCHEMBL7333303 0.77 MAPK1 (0.47) MAOBPTGER4RAB9ASMN1; SMN2
SCHEMBL10128671 0.76 LMNA (0.60) GSTP1MAOBLMNACYP1A2PTGS1

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 4 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
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

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 GSTP1 1881/4885MCL1 2481/4885MAOB 976/4885

“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.