SCHEMBL4572017

SCHEMBL4572017

CCC(C)(CI)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
IDO1 P14902 1/20 0.38
TP53 P04637 1/20 0.37
AGXT P21549 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A2 P23975 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 2/20 0.34

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
SCHEMBL13931102 0.88 TSHR (0.46) TSHRIDO1TP53AGXTMAPT
SCHEMBL11985625 0.81 TSHR (0.40) TSHRIDO1TP53AGXTMAPT
SCHEMBL19185379 0.79 ALDH1A1 (0.38) TSHRIDO1MAPTKDM4EMEN1
SCHEMBL10870263 0.79 ALDH1A1 (0.38) TSHRIDO1MAPTKDM4EMEN1
SCHEMBL13463337 0.77 TSHR (0.41) TSHRIDO1TP53MAPTKDM4E
SCHEMBL14000911 0.77 TSHR (0.43) TSHRIDO1TP53AGXTMAPT
SCHEMBL12879586 0.76 TSHR (0.46) TSHRIDO1TP53AGXTMAPT
SCHEMBL21706155 0.76 TSHR (0.39) TSHRIDO1AGXTMAPTKDM4E
SCHEMBL29054323 0.75 TSHR (0.44) TSHRIDO1TP53AGXTMAPT
SCHEMBL6230320 0.75 TSHR (0.44) TSHRIDO1TP53AGXTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122136-A1 Self-immolative probes for enzyme activity detection ENZO LIFE SCIENCES, INC., C/O ENZO BIOCHEM, INC. (US) 2012-05-17 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-20120122136-A1 Self-immolative probes for enzyme activity detection SORD, SI, IMMT TSHR 2887/4885IDO1 151/4885TP53 1817/4885

“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.