SCHEMBL3767557

SCHEMBL3767557

CC1(C)OB(c2ccc(OCc3ccccc3)c(OC(F)(F)F)c2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
EGFR P00533 1/20 0.41
LIPG Q9Y5X9 5/20 0.40
LPL P06858 4/20 0.40
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2B P41595 1/20 0.37
F2 P00734 1/20 0.35
F11 P03951 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL31065363 1.00 DGAT1 (0.47) DGAT1RXRARXRBRXRGEGFR
SCHEMBL27345776 0.89 HIF1A (0.39) DGAT1RXRARXRBRXRGEGFR
SCHEMBL17474563 0.89 DGAT1 (0.54) DGAT1EGFRLIPGLPLMAPT
SCHEMBL15884409 0.85 EGFR (0.52) DGAT1EGFRLIPGLPLNPC1
SCHEMBL30869582 0.84 DGAT1 (0.48) DGAT1RXRARXRBRXRGEGFR
SCHEMBL3772449 0.84 DGAT1 (0.48) DGAT1RXRARXRBRXRGEGFR
SCHEMBL27345600 0.83 EGFR (0.45) DGAT1EGFRLIPGLPLSLC6A4
SCHEMBL24058035 0.83 DGAT1 (0.51) DGAT1EGFRLIPGLPLMAPT
SCHEMBL15913151 0.83 DGAT1 (0.51) DGAT1RXRARXRBRXRGEGFR
SCHEMBL182480 0.83 DGAT1 (0.51) DGAT1EGFRLIPGLPLMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133605-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF INVIOS GMBH (AT) 2024-06-27 WO disclosed
WO-2024133605-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF INVIOS GMBH (AT) 2024-06-27 WO disclosed
EP-4389749-A1 SUBSTITUTED 3,7-DIHYDRO-1H-PURINE-2,6-DIONES AND USE THEREOF invIOs GmbH (AT) 2024-06-26 EP 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 3934/4885RXRA 2889/4885RXRB 2516/4885

“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.