SCHEMBL13601941

SCHEMBL13601941

CC(C)C(=O)c1cc(-c2ccc(O)cc2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.46
HSD17B1 P14061 2/20 0.45
ESR2 Q92731 2/20 0.43
PDPK1 O15530 1/20 0.43
ERCC5 P28715 2/20 0.41
FEN1 P39748 2/20 0.41
AKR1C2 P52895 3/20 0.40
AKR1C1 Q04828 3/20 0.40
ESR1 P03372 3/20 0.39
XDH P47989 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
GRIK2 Q13002 1/20 0.38
GRIK3 Q13003 1/20 0.38
ALOX5 P09917 1/20 0.37

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 0.83 ERCC5 (0.59) ERCC5FEN1MEN1KMT2AALOX5
SCHEMBL13609862 0.81 HSD17B1 (0.57) HSD17B1ESR2ERCC5FEN1AKR1C2
SCHEMBL8168081 0.77 ALDH1A1 (0.59) ERCC5FEN1
SCHEMBL13609880 0.77 HSD17B1 (0.53) MGLLHSD17B1ESR2ERCC5FEN1
SCHEMBL12438177 0.75 HSD17B10 (0.45) ESR1MEN1KMT2A
SCHEMBL13601943 0.73 HSD17B1 (0.47) HSD17B1ESR2AKR1C2AKR1C1ESR1
SCHEMBL13719732 0.71 SLC6A4 (0.43) MEN1KMT2A
SCHEMBL6273860 0.71 MCL1 (0.66) MGLLESR2MEN1KMT2AALOX5
SCHEMBL15631129 0.71 ALOX15 (0.47)
SCHEMBL13609685 0.70 ERCC5 (0.49) ERCC5FEN1MEN1KMT2AALOX5

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
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
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 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 (2 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 MGLL 4542/4885HSD17B1 3854/4885ESR2 2413/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B MGLL 2557/4885HSD17B1 2862/4885ESR2 1740/4885

“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.