SCHEMBL2809880

SCHEMBL2809880

COCCOc1cc(CBr)cc(OCC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.39
PDE4D Q08499 12/20 0.39
PDE3B Q13370 7/20 0.37
PDE3A Q14432 7/20 0.37
SLC6A4 P31645 3/20 0.36
HTR1A P08908 2/20 0.35
WDR5 P61964 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL5312355 0.85 MAPK1 (0.37) SLC6A4HTR1A
SCHEMBL2810985 0.85 PDE4A (0.40) PDE4APDE4DPDE3BPDE3AWDR5
SCHEMBL20772800 0.84 CHRNB4 (0.42) PDE4APDE4DPDE3BPDE3ASLC6A4
SCHEMBL13490827 0.80 MAPK1 (0.41)
SCHEMBL29002957 0.78 KDM4E (0.36) TDP1
SCHEMBL1347193 0.76 SLC6A4 (0.41) SLC6A4HTR1A
SCHEMBL21819200 0.74 WDR5 (0.43) PDE4APDE4DWDR5PDE4BPDE4C
SCHEMBL18860591 0.74 MAPT (0.43) SLC6A4HTR1ATDP1
SCHEMBL22964248 0.72 HTR6 (0.39) PDE4APDE4D
SCHEMBL22964347 0.72 HTR6 (0.39) PDE4APDE4D

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 6 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
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 PDE4A 736/4885PDE4D 1043/4885PDE3B 1450/4885

“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.