SCHEMBL2814734

SCHEMBL2814734

CCOC(=O)c1cc(OCC2CC2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.44
CNR2 P34972 1/20 0.43
ATF1 P18846 1/20 0.42
NFKB1 P19838 1/20 0.42
F2 P00734 1/20 0.42
NOTUM Q6P988 1/20 0.41
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
CREBBP Q92793 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MAOB P27338 1/20 0.40
P2RX3 P56373 2/20 0.39
P2RX2 Q9UBL9 2/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39

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
SCHEMBL21609780 0.87 NOTUM (0.52) RBP4F2NOTUMP2RX3P2RX2
SCHEMBL21609801 0.83 RBP4 (0.47) RBP4PARP15PARP10PARP2GPBAR1
SCHEMBL2823321 0.82 CA12 (0.44) F2BRD4BRD2CREBBPCA12
SCHEMBL2809599 0.80 ATF1 (0.46) ATF1NFKB1NOTUMCA12CA1
SCHEMBL1996172 0.79 CA12 (0.56) ATF1NFKB1NOTUMCA12CA1
SCHEMBL22816892 0.77 RBP4 (0.39) RBP4CNR2F2
SCHEMBL22816981 0.77 PDE3B (0.39) RBP4CNR2P2RX3P2RX2RXRA
SCHEMBL16729424 0.77 F2 (0.43) RBP4F2KAT6A
SCHEMBL2209347 0.76 PARP10 (0.46) BRD4BRD2CREBBPCA12CA1
SCHEMBL20546623 0.75 NOTUM (0.43) ATF1NFKB1NOTUMCA12CA1

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 1 patent. 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

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 RBP4 1604/4885CNR2 13/4885ATF1 245/4885

“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.