SCHEMBL2806822

SCHEMBL2806822

COC(=O)c1ccc(-c2cc(C=O)cc(OCc3ccccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAOB P27338 2/20 0.50
LMNA P02545 2/20 0.50
MAOA P21397 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 6/20 0.48
NPC1 O15118 4/20 0.48
PTPN1 P18031 2/20 0.47
AR P10275 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ERN1 O75460 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
SCHEMBL2805771 0.88 NR4A2 (0.58) MEN1KMT2ASMN1; SMN2MAOBMAOA
SCHEMBL29896397 0.87 LMNA (0.59) MEN1KMT2ASMN1; SMN2MAOBLMNA
SCHEMBL3124012 0.87 LMNA (0.59) MEN1KMT2ASMN1; SMN2MAOBLMNA
SCHEMBL5552735 0.83 MRGPRX4 (0.59) MEN1KMT2ASMN1; SMN2MAOBLMNA
SCHEMBL2807068 0.82 LMNA (0.51) MEN1KMT2ASMN1; SMN2MAOBLMNA
SCHEMBL9343582 0.82 SMN1; SMN2 (0.65) MEN1KMT2ASMN1; SMN2MAOBLMNA
SCHEMBL3678773 0.82 MRGPRX4 (0.64) MEN1KMT2ASMN1; SMN2MAOBLMNA
SCHEMBL731203 0.81 LMNA (0.62) MEN1KMT2ASMN1; SMN2MAOBLMNA
SCHEMBL13168305 0.81 MAPT (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL21433629 0.79 ALDH1A1 (0.68) PTPN1ALDH1A1MAPTTDP1ERN1

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 MEN1 4809/4885KMT2A 2100/4885SMN1; SMN2 4776/4885

“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.