SCHEMBL424108

SCHEMBL424108

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
ROCK1 Q13464 1/20 0.44
LIPG Q9Y5X9 3/20 0.43
CSF1R P07333 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
HIF1A Q16665 4/20 0.41
LPL P06858 2/20 0.39
DGAT1 O75907 1/20 0.39
GAA P10253 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AMY1A P0DUB6 1/20 0.38
P4HB P07237 1/20 0.38
F2 P00734 1/20 0.37
F11 P03951 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37

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
SCHEMBL17387588 0.89 HSD17B10 (0.55) HSD17B10ROCK1LIPGCSF1RHIF1A
SCHEMBL24410085 0.88 ROCK1 (0.43) ROCK1LIPGCSF1RHIF1ALPL
SCHEMBL30124534 0.88 ROCK1 (0.43) ROCK1LIPGCSF1RHIF1ALPL
SCHEMBL29845441 0.87 HIF1A (0.43) ROCK1LIPGHIF1ALPLDGAT1
SCHEMBL18241343 0.87 HIF1A (0.43) ROCK1LIPGHIF1ALPLDGAT1
SCHEMBL21198445 0.86 ROCK1 (0.42) ROCK1LIPGCSF1RHIF1ADGAT1
SCHEMBL20505406 0.85 HIF1A (0.41) ROCK1LIPGHIF1ALPLDGAT1
SCHEMBL12215782 0.84 CSF1R (0.46) ROCK1LIPGCSF1RHIF1ALPL
SCHEMBL22408495 0.84 HIF1A (0.43) ROCK1LIPGHIF1ALPLDGAT1
SCHEMBL31032443 0.84 HIF1A (0.43) ROCK1LIPGHIF1ALPLDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 WO disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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 (2 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB HSD17B10 1262/4885ROCK1 396/4885LIPG 597/4885
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 HSD17B10 526/4885ROCK1 1731/4885LIPG 652/4885

“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.