SCHEMBL13601943

SCHEMBL13601943

CC(C)C(=O)c1ccc(-c2cccc(O)c2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.47
HSD17B2 P37059 6/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP17A1 P05093 2/20 0.43
HPGDS O60760 2/20 0.42
ADAMTS4 O75173 1/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C3 P42330 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CNR1 P21554 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL13609860 0.83 HSD17B1 (0.52) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL12438177 0.82 HSD17B10 (0.45) CYP3A4ESR1CYP1A2
SCHEMBL13609685 0.76 ERCC5 (0.49) CYP3A4DHODH
SCHEMBL30209768 0.73 SMN1; SMN2 (0.59) CYP3A4CYP2C9
SCHEMBL10022337 0.73 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9CYP17A1
SCHEMBL8196836 0.73 SMN1; SMN2 (0.59) CYP3A4CYP2C9
SCHEMBL13601941 0.73 MGLL (0.46) HSD17B1ESR1ESR2AKR1C2AKR1C1
SCHEMBL21296987 0.73 HSD17B1 (0.67) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL14039216 0.72 HPGD (0.47)
SCHEMBL12438167 0.70 HPGD (0.49)

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
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
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 HSD17B1 3854/4885HSD17B2 4346/4885CYP3A4 536/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B HSD17B1 2862/4885HSD17B2 2485/4885CYP3A4 4342/4885

“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.