SCHEMBL4050101

SCHEMBL4050101

CCOc1cc(F)ccc1OBOc1ccc(F)cc1OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 4/20 0.38
HRH4 Q9H3N8 1/20 0.38
MRGPRX1 Q96LB2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM1A O60341 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ERBB2 P04626 2/20 0.37
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FBP1 P09467 1/20 0.36
CACNA1C Q13936 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 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
SCHEMBL4018504 0.93 L3MBTL1 (0.46) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL2523519 0.86 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL5869063 0.82 FFAR1 (0.37) MEN1KMT2AALDH1A1KDM4EFFAR1
SCHEMBL263260 0.79 HTR2C (0.46) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL2655152 0.79 NFE2L2 (0.47) CYP1A2CYP2C19KDM4E
SCHEMBL22705 0.78 ALDH1A1 (0.54) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL18688122 0.78 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL3411402 0.78 TSHR (0.49) L3MBTL1CYP1A2CYP2D6TDP1MEN1
SCHEMBL14237516 0.77 CYP1A2 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL12129028 0.77 KDM4E (0.59) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773843-A4 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS UNIV TEXAS (US) 2009-06-03 EP disclosed
EP-1773843-A1 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS The Board of Regents of The University of Texas System (US) 2007-04-18 EP disclosed
WO-2006014404-A1 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-02-09 WO disclosed
US-20060004002-A1 Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-01-05 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-20060004002-A1 Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors SRC, LCK, FYN L3MBTL1 1793/4885CYP1A2 4112/4885CYP2D6 3946/4885

“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.