SCHEMBL2807207

SCHEMBL2807207

Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.52
MCL1 Q07820 2/20 0.51
ERN1 O75460 2/20 0.51
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
ENPP3 O14638 1/20 0.47
ENPP1 P22413 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PARP10 Q53GL7 1/20 0.46
FFAR1 O14842 2/20 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
SCHEMBL16319302 0.88 MAOB (0.56) ERN1MAOBMAOANPC1RAB9A
SCHEMBL6773381 0.80 ALDH1A1 (0.54) ERN1NPC1RAB9AMEN1KMT2A
SCHEMBL498282 0.80 MAOB (0.56) ERN1MAOBMAOANPC1RAB9A
SCHEMBL30663841 0.80 MAOB (0.56) ERN1MAOBMAOANPC1RAB9A
SCHEMBL14270580 0.78 ERN1 (0.53) ERN1CYP1A2CYP2C19
SCHEMBL18617200 0.77 MAP4K4 (0.53) GSTP1MCL1ERN1MAOBMAOA
SCHEMBL6187222 0.77 RAB9A (0.62) GSTP1MCL1MAOBMAOARAB9A
SCHEMBL2807881 0.77 MAOA (0.70) GSTP1MCL1MAOBMAOANPC1
SCHEMBL19391205 0.77 ERN1 (0.49) ERN1MEN1KMT2A
SCHEMBL16585825 0.77 MAPT (0.60) ERN1MAOBMAOANPC1RAB9A

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 2481/4885ERN1 4218/4885

“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.