SCHEMBL13609685

SCHEMBL13609685

COc1ccc(-c2ccc(C(=O)C(C)C)c(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
PPARG P37231 1/20 0.46
ALOX5 P09917 1/20 0.44
DHODH Q02127 1/20 0.43
MAPK1 P28482 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL13689148 0.88 ERCC5 (0.59) ERCC5FEN1MAPTRAB9AMEN1
SCHEMBL13601948 0.83 MAPT (0.43) MAPTRAB9AMEN1KMT2ACYP3A4
SCHEMBL13609519 0.83 MAPK1 (0.53) ERCC5FEN1MAPTRAB9AKMT2A
SCHEMBL7275668 0.81 CASP1 (0.57) ERCC5FEN1MAPTRAB9AALOX5
SCHEMBL10583852 0.79 ERCC5 (0.56) ERCC5FEN1MAPTRAB9AMEN1
SCHEMBL13601943 0.76 HSD17B1 (0.47) CYP3A4DHODH
SCHEMBL678080 0.75 CES2 (0.55) RAB9ACYP3A4ALOX5NPC1
SCHEMBL1922880 0.75 JAK2 (0.49) MAPTRAB9AMEN1KMT2ACYP3A4
SCHEMBL30209768 0.73 SMN1; SMN2 (0.59) ERCC5FEN1MAPTRAB9AMEN1
SCHEMBL8196836 0.73 SMN1; SMN2 (0.59) ERCC5FEN1MAPTRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 ERCC5 3419/4885FEN1 3622/4885MAPT 2155/4885

“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.