SCHEMBL13601935

SCHEMBL13601935

CCC(Cc1ccc(C)c(O)c1)NC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.53
NR3C1 P04150 4/20 0.44
PGR P06401 4/20 0.44
NR3C2 P08235 3/20 0.44
ALOX15 P16050 4/20 0.42
ALOX12 P18054 4/20 0.42
MEN1 O00255 3/20 0.42
CYP3A4 P08684 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ESR1 P03372 2/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
RECQL P46063 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 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
SCHEMBL13359831 0.84 HTR1B (0.50) SLC6A4NR3C1PGRNR3C2ALOX15
Water SCHEMBL1530715 0.83 NR3C1 (0.45) SLC6A4NR3C1PGRNR3C2ALOX15
SCHEMBL13228076 0.78 ALOX15 (0.48) NR3C1PGRNR3C2ALOX15ALOX12
SCHEMBL12405916 0.77 ALOX15 (0.61) NR3C1PGRALOX15ALOX12MEN1
SCHEMBL3960259 0.76 GABRA1 (0.60) NR3C1PGRALOX15ALOX12MEN1
SCHEMBL29770953 0.73 SLC6A4 (0.47) SLC6A4NR3C1PGRALOX15ALOX12
SCHEMBL5147833 0.73 SLC6A4 (0.47) SLC6A4NR3C1PGRALOX15ALOX12
SCHEMBL892653 0.73 TAAR1 (0.57) NR3C1PGRALOX15ALOX12MEN1
Hydrochloric Acid SCHEMBL1530712 0.72 SLC6A4 (0.46) SLC6A4NR3C1PGRALOX15ALOX12
SCHEMBL24505612 0.71 ALOX15 (0.63) NR3C1PGRALOX15ALOX12MEN1

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-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 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 SLC6A4 340/4885NR3C1 2638/4885PGR 4009/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B SLC6A4 4255/4885NR3C1 1185/4885PGR 2834/4885

“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.