SCHEMBL7023744

SCHEMBL7023744

CC(C)(Br)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
IDO1 P14902 1/20 0.46
AGXT P21549 1/20 0.44
SLC6A2 P23975 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MAOB P27338 4/20 0.42
LIPE Q05469 1/20 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
SCHEMBL5016440 0.83 TSHR (0.52) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL726130 0.83 TSHR (0.52) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL11625744 0.83 TSHR (0.52) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL10940340 0.83 TSHR (0.52) TSHRL3MBTL1MAPTMAPK1TDP1
Ammonia Solution, Strong SCHEMBL27418090 0.81 TSHR (0.50) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL23072564 0.79 TSHR (0.48) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL3410274 0.79 TSHR (0.48) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL1356758 0.79 TSHR (0.48) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL21327698 0.79 TSHR (0.48) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL11636438 0.79 TSHR (0.48) TSHRL3MBTL1MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation ABBOTT LABORATORIES 2003-03-20 US disclosed
WO-2002081441-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRROLIDINE NEURAMINIDASE INHIBITORS ABBOTT LABORATORIES (US) 2002-10-17 WO 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-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation NEU4, NEU2, NEU1 TSHR 762/4885L3MBTL1 3915/4885MAPT 4848/4885

“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.