SCHEMBL10149367

SCHEMBL10149367

Cc1cc(C)cc(C(=O)Nc2ccc(O)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.73
RAB9A P51151 4/20 0.73
TP53 P04637 1/20 0.73
NQO2 P16083 2/20 0.70
SNCA P37840 2/20 0.62
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 2/20 0.60
USP2 O75604 2/20 0.60
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 1/20 0.56
TOP1 P11387 1/20 0.56
TOP2A P11388 1/20 0.56
TOP2B Q02880 1/20 0.56
THRB P10828 1/20 0.56
DEGS1 O15121 2/20 0.54
CA12 O43570 1/20 0.52
BRD4 O60885 1/20 0.52

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
SCHEMBL6881442 0.96 NPC1 (0.73) NPC1RAB9ATP53NQO2SNCA
SCHEMBL16677959 0.86 NQO2 (0.84) NPC1RAB9ATP53NQO2SNCA
SCHEMBL6556053 0.85 NQO2 (0.70) NPC1RAB9ATP53NQO2SNCA
SCHEMBL5380687 0.84 TP53 (1.00) NPC1RAB9ATP53NQO2MEN1
SCHEMBL30555199 0.84 TP53 (1.00) NPC1RAB9ATP53NQO2MEN1
SCHEMBL11732303 0.84 KMT2A (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL27998568 0.84 KMT2A (0.59) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL22192261 0.84 NQO2 (0.68) NPC1RAB9ATP53NQO2SNCA
SCHEMBL6555948 0.83 RAB9A (0.85) NPC1RAB9ATP53NQO2SNCA
SCHEMBL7606680 0.83 RAB9A (0.85) NPC1RAB9ATP53NQO2SNCA

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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 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 (2 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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 NPC1 3562/4885RAB9A 3419/4885TP53 3497/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 NPC1 3562/4885RAB9A 3419/4885TP53 3497/4885

“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.