SCHEMBL6440370

SCHEMBL6440370

CC(C)/C=C(/O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
XBP1 P17861 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.37
TRPA1 O75762 1/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36

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
SCHEMBL6436169 1.00 NFE2L2 (0.43) NFE2L2CA12CA1CA2CA9
SCHEMBL6935684 0.80 ESR1 (0.43) MAPTSMN1; SMN2LMNAXBP1ATM
SCHEMBL7803264 0.78 KDM1A (0.42) MAPTSMN1; SMN2RAB9AHTTLMNA
SCHEMBL3631547 0.78 KDM1A (0.42) MAPTSMN1; SMN2RAB9AHTTLMNA
SCHEMBL10591109 0.78 KDM1A (0.42) MAPTSMN1; SMN2RAB9AHTTLMNA
Hydrogen Peroxide SCHEMBL9619642 0.78 KDM1A (0.42) MAPTSMN1; SMN2RAB9AHTTLMNA
SCHEMBL28762549 0.78 PGR (0.39) NFE2L2CA12CA1CA2CA9
SCHEMBL11657524 0.78 TSHR (0.39) NFE2L2CA12CA1CA2CA9
SCHEMBL11657526 0.78 TSHR (0.39) NFE2L2CA12CA1CA2CA9
SCHEMBL8389881 0.76 BLM (0.41) CA12CA1CA2CA9MAPT

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-6867323-B2 Cross-coupling reaction of organosilicon nucleophiles THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-03-15 US disclosed
US-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles UNIVERSITY OF ILLINOIS URBANA-CHAMPAIGN 2002-12-05 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-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles TST, HPD, PCNA NFE2L2 1284/4885CA12 571/4885CA1 204/4885

“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.