SCHEMBL2809599

SCHEMBL2809599

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATF1 P18846 1/20 0.46
NFKB1 P19838 1/20 0.46
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
GPBAR1 Q8TDU6 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAOB P27338 1/20 0.41
HSD17B10 Q99714 1/20 0.40
RXRA P19793 1/20 0.40

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
SCHEMBL31144903 0.88 NOTUM (0.56) NOTUMALDH1A1KDM4EHPGDHTT
SCHEMBL31144862 0.82 GPBAR1 (0.46) ATF1NFKB1NOTUMALDH1A1KDM4E
SCHEMBL1996172 0.81 CA12 (0.56) ATF1NFKB1NOTUMALDH1A1KMT2A
SCHEMBL18758579 0.81 ESR1 (0.52) ATF1NFKB1ALDH1A1HTT
SCHEMBL2814734 0.80 RBP4 (0.44) ATF1NFKB1NOTUMGPBAR1CA12
SCHEMBL13699116 0.79 NOTUM (0.55) NOTUMKDM4EHTTKMT2AL3MBTL1
SCHEMBL31144913 0.78 NOTUM (0.58) ATF1NFKB1NOTUMALDH1A1HTT
SCHEMBL24690258 0.78 GPR84 (0.44) ALDH1A1KDM4EHPGDHTTKMT2A
SCHEMBL20546623 0.77 NOTUM (0.43) ATF1NFKB1NOTUMALDH1A1KDM4E
SCHEMBL16124087 0.77 PDE4D (0.42) ALDH1A1KDM4EHTTKMT2AGPBAR1

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 ATF1 245/4885NFKB1 2422/4885NOTUM 3081/4885

“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.