SCHEMBL841507

SCHEMBL841507

CC(C)(C)OCc1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
TAAR1 Q96RJ0 3/20 0.42
ALDH1A1 P00352 2/20 0.41
RIPK1 Q13546 1/20 0.40
PARP10 Q53GL7 1/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37

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
SCHEMBL646908 0.84 IDO1 (0.38) IDO1RIPK1
SCHEMBL1567091 0.84 IDO1 (0.52) IDO1TAAR1ALDH1A1RIPK1PARP10
SCHEMBL14008209 0.77 TAAR1 (0.43) TAAR1TSHRKMT2A
SCHEMBL1146014 0.76 IDO1 (0.61) IDO1TAAR1ALDH1A1PARP10MAPT
SCHEMBL13603792 0.75 IDO1 (0.55) IDO1TAAR1ALDH1A1MAPTHTT
SCHEMBL13050671 0.75 ALDH1A1 (0.45) IDO1ALDH1A1MAPTTSHRHTT
SCHEMBL18240037 0.75 TAAR1 (0.42) TAAR1TSHRKMT2A
Lithium SCHEMBL18240038 0.75 TAAR1 (0.42) TAAR1TSHRKMT2A
SCHEMBL18185026 0.75 FDPS (0.38) IDO1ALDH1A1TSHRSMN1; SMN2CA12
SCHEMBL8576825 0.75 IDO1 (0.55) IDO1TAAR1ALDH1A1RIPK1PARP10

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-8143069-B2 useful for selective measurement of hypochlorite ion; does not react with hydrogen peroxide which is a weakly reactive oxygen species, and does not induce increase of fluorescence with hydroxyl radical or peroxynitrite which are reactive oxygen species having high activity THE UNIVERSITY OF TOKYO (JP) 2012-03-27 US disclosed
US-20090317914-A1 FLUORESCENT PROBE THE UNIVERSITY OF TOKYO (JP) 2009-12-24 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-20090317914-A1 FLUORESCENT PROBE H1-10, H1-0, NHERF1 IDO1 2633/4885TAAR1 793/4885ALDH1A1 1940/4885

“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.