SCHEMBL2810985

SCHEMBL2810985

COCCOc1cc(CO)cc(OCC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.40
PDE4D Q08499 12/20 0.40
PDE3B Q13370 8/20 0.39
PDE3A Q14432 8/20 0.39
F2 P00734 1/20 0.38
WDR5 P61964 1/20 0.37
MCHR1 Q99705 1/20 0.36
EP300 Q09472 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL2810509 0.85 CBFB (0.41)
SCHEMBL2809880 0.85 PDE4A (0.39) PDE4APDE4DPDE3BPDE3AWDR5
SCHEMBL20772800 0.81 CHRNB4 (0.42) PDE4APDE4DPDE3BPDE3APARP15
SCHEMBL8263863 0.80 ALDH1A1 (0.41) CNR1CNR2
SCHEMBL2809960 0.78 ACHE (0.47) F2EP300PARP15PARP10PARP2
SCHEMBL16396441 0.76 PIM1 (0.40) F2EP300PARP15PARP10PARP2
SCHEMBL2807883 0.76 ACHE (0.48) CNR1CNR2
SCHEMBL3134747 0.76 DAO (0.39) PDE4DCNR1CNR2
SCHEMBL10068795 0.75 WDR5 (0.44) PDE4APDE4DF2WDR5PARP15
SCHEMBL22964248 0.75 HTR6 (0.39) PDE4APDE4DCNR1CNR2

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 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.