SCHEMBL4398340

SCHEMBL4398340

CCOc1cc(OCC)c(F)c(CO)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.35
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
AOC3 Q16853 2/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
KDM1A O60341 2/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL4398124 0.93 TSHR (0.39) TSHRCYP3A4L3MBTL1KDM4EMAPT
SCHEMBL4395425 0.83 ENPP1 (0.36) TSHRCYP3A4ALDH1A1KDM4EMAPT
SCHEMBL4408963 0.79 ENPP1 (0.36) TSHRCYP3A4ALDH1A1KDM4EMAPT
SCHEMBL1121343 0.79 HTT (0.40) TSHRCYP3A4L3MBTL1HSD17B10ALDH1A1
SCHEMBL4403264 0.79 L3MBTL1 (0.40) TSHRL3MBTL1HSD17B10ALDH1A1KDM4E
SCHEMBL4411924 0.78 PDE4A (0.43) CYP3A4MAPTMAPK1RAB9AHTT
SCHEMBL4403330 0.77 TSHR (0.44) TSHRCYP3A4L3MBTL1HSD17B10KDM4E
SCHEMBL28892422 0.76 L3MBTL1 (0.41) TSHRL3MBTL1HSD17B10ALDH1A1POLB
SCHEMBL4403785 0.76 ALDH1A1 (0.39) TSHRL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL4406719 0.74 HSD17B10 (0.45) TSHRCYP3A4L3MBTL1HSD17B10ALDH1A1

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
EP-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 TSHR 3028/4885CYP3A4 2224/4885L3MBTL1 3772/4885

“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.