SCHEMBL2806847

SCHEMBL2806847

CCOC(=O)c1[nH]c2ccccc2c1-c1ccc(OC)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HPGD P15428 5/20 0.51
CYP1A2 P05177 1/20 0.51
XBP1 P17861 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TUBB4A P04350 5/20 0.49
TUBB P07437 5/20 0.49
TUBA3C P0DPH7 5/20 0.49
TUBA1B P68363 5/20 0.49
TUBA4A P68366 5/20 0.49
TUBB4B P68371 5/20 0.49
TUBB3 Q13509 5/20 0.49
TUBB2A Q13885 5/20 0.49
TUBB8 Q3ZCM7 5/20 0.49
TUBA3E Q6PEY2 5/20 0.49
TUBA1A Q71U36 5/20 0.49
TUBA1C Q9BQE3 5/20 0.49
TUBB6 Q9BUF5 5/20 0.49

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
SCHEMBL17600656 0.83 ALDH1A1 (0.48) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL6857725 0.82 HPGD (0.62) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL2956667 0.81 ALDH1A1 (0.73) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4591881 0.81 ALDH1A1 (0.57) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL7673201 0.79 ALDH1A1 (0.74) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL7528226 0.79 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL7679486 0.79 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL7679887 0.78 MAPT (0.60) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL7676091 0.77 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL2810876 0.77 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2XBP1CYP2C19

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 5 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
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 ALDH1A1 402/4885HPGD 421/4885CYP1A2 216/4885

“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.