SCHEMBL13601942

SCHEMBL13601942

CC(C)C(=O)c1ccccc1CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
PTGER1 P34995 2/20 0.45
PTGER4 P35408 2/20 0.45
PTGER3 P43115 2/20 0.45
PTGER2 P43116 2/20 0.45
FOLH1 Q04609 1/20 0.44
FFAR1 O14842 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 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
SCHEMBL17058912 0.81 BCAT2 (0.54) ALDH1A1LMNAKDM4EADRA1A
SCHEMBL7575004 0.81 ALDH1A1 (0.53) KEAP1ALDH1A1LMNAPTGER1PTGER4
SCHEMBL29062 0.81 FOLH1 (0.66) KEAP1ALDH1A1LMNAPTGER1PTGER4
SCHEMBL9838564 0.80 HMGB1 (0.50) ALDH1A1LMNAFOLH1KMT2A
Methoxymethane SCHEMBL135046 0.80 LMNA (0.46) KEAP1ALDH1A1LMNAPTGER1PTGER4
SCHEMBL10276952 0.79 CLCN2 (0.43) ALDH1A1KMT2A
SCHEMBL28248640 0.79 KEAP1 (0.47) KEAP1ALDH1A1LMNAPTGER1PTGER4
SCHEMBL11397191 0.79 TSHR (0.43) ALDH1A1LMNAFOLH1KMT2AKDM4E
SCHEMBL59198 0.78 KEAP1 (0.65) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL17871919 0.78 KEAP1 (0.50) KEAP1ALDH1A1LMNAPTGER1PTGER4

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 KEAP1 1270/4885ALDH1A1 401/4885LMNA 4443/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B KEAP1 4331/4885ALDH1A1 1424/4885LMNA 2205/4885

“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.