SCHEMBL2809108

SCHEMBL2809108

[Pd].c1ccc([PH2](c2ccccc2)c2ccccc2)cc1.c1ccc([PH2](c2ccccc2)c2ccccc2)cc1.c1ccc([PH2](c2ccccc2)c2ccccc2)cc1.c1ccc([PH2](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ TSHR P16473 6/20 0.33
▸ TDP1 Q9NUW8 5/20 0.33
▸ ALOX12 P18054 3/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ HSD17B10 Q99714 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MGLL Q99685 1/20 0.32

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
SCHEMBL1679860 0.96 ALDH1A1 (0.40) ALDH1A1TSHRTDP1ALOX12CA1
SCHEMBL7027927 0.92 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
SCHEMBL10560031 0.92 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
Ammonia Solution, Strong SCHEMBL10353912 0.92 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
SCHEMBL11851387 0.92 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
Hydrochloric Acid SCHEMBL29742149 0.92 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
Hydrochloric Acid SCHEMBL29391525 0.89 ALDH1A1 (0.35) ALDH1A1TSHRTDP1ALOX12CA1
Ethylene SCHEMBL6059829 0.89 ALDH1A1 (0.35) ALDH1A1TSHRTDP1ALOX12CA1
Ethyne SCHEMBL2390599 0.89 ALDH1A1 (0.35) ALDH1A1TSHRTDP1ALOX12CA1
Ammonia Solution, Strong SCHEMBL31046202 0.81 BBOX1 (0.32) ALDH1A1BBOX1EHMT2EHMT1

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 3 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
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 ALDH1A1 402/4885TSHR 385/4885TDP1 3904/4885

“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.

Send feedback