SCHEMBL29845441

SCHEMBL29845441

CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.43
ROCK1 Q13464 1/20 0.42
LIPG Q9Y5X9 6/20 0.41
LPL P06858 5/20 0.38
AAK1 Q2M2I8 2/20 0.37
DGAT1 O75907 1/20 0.37
P4HB P07237 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F2 P00734 1/20 0.36
F11 P03951 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL18241343 1.00 HIF1A (0.43) HIF1AROCK1LIPGLPLAAK1
SCHEMBL20505406 0.90 HIF1A (0.41) HIF1AROCK1LIPGLPLAAK1
SCHEMBL22408495 0.89 HIF1A (0.43) HIF1AROCK1LIPGLPLDGAT1
SCHEMBL31032443 0.89 HIF1A (0.43) HIF1AROCK1LIPGLPLDGAT1
SCHEMBL20561876 0.88 ROCK1 (0.41) HIF1AROCK1LIPGLPLAAK1
SCHEMBL424108 0.87 HSD17B10 (0.44) HIF1AROCK1LIPGLPLDGAT1
SCHEMBL20504699 0.84 LPL (0.42) HIF1AROCK1LIPGLPLAAK1
SCHEMBL18241209 0.84 HIF1A (0.42) HIF1AROCK1LIPGAAK1PRSS1
SCHEMBL3204011 0.82 L3MBTL1 (0.52) HIF1ALIPGAAK1DGAT1GLA
SCHEMBL16898733 0.82 HIF1A (0.44) HIF1ALIPGLPLAAK1DGAT1

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-11446298-B2 Pyrimidine derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-20 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-11446298-B2 Pyrimidine derivatives PTGER1, PTGER4, PTGER2 HIF1A 1110/4885ROCK1 3476/4885LIPG 4502/4885

“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.