SCHEMBL4470463

SCHEMBL4470463

CC(C)(C(=O)O)n1ccc2cc(O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
CYP2C9 P11712 1/20 0.39
CLK1 P49759 2/20 0.36
DYRK1A Q13627 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
GAA P10253 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ABCB11 O95342 2/20 0.35
CCR2 P41597 1/20 0.35
FLT3 P36888 2/20 0.34
ABL1 P00519 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
BCR P11274 1/20 0.34
BLM P54132 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL26432945 0.82 ALDH1A1 (0.39) HSD17B10CYP2C9CLK1DYRK1ADYRK1B
SCHEMBL3684576 0.79 CA12 (0.40) HSD17B10CYP2C9GAASMN1; SMN2MEN1
SCHEMBL2626592 0.73 FABP4 (0.45) CYP2C9SMN1; SMN2ALDH1A1FABP4
SCHEMBL31560864 0.72 KMO (0.50) CYP2C9SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1576504 0.72 FABP4 (0.44) HSD17B10CYP2C9KDM4EALDH1A1CCR2
SCHEMBL2794146 0.72 OXER1 (0.42) CLK1DYRK1ADYRK1BGAASMN1; SMN2
SCHEMBL3929487 0.70 RAPGEF4 (0.48) HSD17B10KDM4EHPGDHTT
SCHEMBL1273077 0.70 HTR6 (0.49) ABL1HTR6ACHE
SCHEMBL1576384 0.70 CCR2 (0.41) HSD17B10KDM4EALDH1A1CCR2HPGD
Methane SCHEMBL6390810 0.69 HTR6 (0.48) ABL1HTR6ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 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-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD HSD17B10 47/4885CYP2C9 754/4885CLK1 2897/4885

“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.