SCHEMBL840985

SCHEMBL840985

CC(C)(C)SCc1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
POLB P06746 2/20 0.59
ATM Q13315 1/20 0.59
PLEC Q15149 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.50
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DNASE1L3 Q13609 1/20 0.42
PRMT1 Q99873 1/20 0.42
CA9 Q16790 8/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
GNG2 P59768 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
SCHEMBL12708320 0.86 MEN1 (0.68) USP2MEN1KMT2APOLBATM
SCHEMBL841016 0.84 MEN1 (0.60) USP2MEN1KMT2APOLBATM
SCHEMBL14433567 0.84 MEN1 (0.68) USP2MEN1KMT2APOLBATM
SCHEMBL23463081 0.81 MEN1 (0.67) USP2MEN1KMT2APOLBATM
SCHEMBL15305308 0.79 MEN1 (0.61) USP2MEN1KMT2APOLBATM
SCHEMBL5468848 0.79 USP2 (0.71) USP2MEN1KMT2APOLBATM
SCHEMBL8930410 0.79 MEN1 (0.74) USP2MEN1KMT2APOLBATM
SCHEMBL16169467 0.77 MEN1 (0.68) USP2MEN1KMT2APOLBATM
SCHEMBL15686673 0.77 MEN1 (0.68) USP2MEN1KMT2APOLBATM
SCHEMBL13052179 0.77 MEN1 (0.71) USP2MEN1KMT2APOLBATM

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 USP2 2992/4885MEN1 444/4885KMT2A 2962/4885

“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.