SCHEMBL3761944

SCHEMBL3761944

CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.50
LIPG Q9Y5X9 8/20 0.44
LPL P06858 7/20 0.44
HIF1A Q16665 1/20 0.40
EGFR P00533 1/20 0.40
GAA P10253 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL16239386 0.89 DGAT1 (0.49) DGAT1LIPGLPLEGFRHTR1A
SCHEMBL17474563 0.87 DGAT1 (0.54) DGAT1LIPGLPLEGFRNPC1
SCHEMBL3767677 0.84 DGAT1 (0.52) DGAT1LIPGLPLEGFRSMN1; SMN2
SCHEMBL24094217 0.84 LPL (0.44) DGAT1LIPGLPLHIF1AMAPT
SCHEMBL28738862 0.83 DGAT1 (0.51) DGAT1LIPGLPLEGFRNPC1
SCHEMBL182480 0.83 DGAT1 (0.51) DGAT1LIPGLPLEGFRHTR1A
SCHEMBL16336555 0.83 DGAT1 (0.51) DGAT1LIPGLPLEGFRMAPT
SCHEMBL15884409 0.83 EGFR (0.52) DGAT1LIPGLPLEGFRHTR1A
SCHEMBL24058035 0.83 DGAT1 (0.51) DGAT1LIPGLPLEGFRMAPT
SCHEMBL31750228 0.83 DGAT1 (0.51) DGAT1LIPGLPLHIF1AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022122780-A1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2022-06-16 WO disclosed
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 DGAT1 3934/4885LIPG 4067/4885LPL 3837/4885

“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.