SCHEMBL12281165

SCHEMBL12281165

COc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 1.00
KMT2A Q03164 14/20 1.00
NPC1 O15118 11/20 1.00
AGTR1 P30556 3/20 1.00
HSP90AA1 P07900 2/20 1.00
ECE2 P0DPD6 2/20 1.00
RAB9A P51151 8/20 0.71
POLB P06746 1/20 0.71
OPRK1 P41145 1/20 0.71
ATM Q13315 2/20 0.61
CD74 P04233 1/20 0.60
MIF P14174 1/20 0.60
CYP1A2 P05177 1/20 0.58
DHFR P00374 1/20 0.58
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
NFKB1 P19838 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL7691066 0.86 MEN1 (0.76) MEN1KMT2ANPC1AGTR1HSP90AA1
SCHEMBL7691068 0.86 MEN1 (0.76) MEN1KMT2ANPC1AGTR1HSP90AA1
SCHEMBL29040606 0.85 MEN1 (0.74) MEN1KMT2ANPC1AGTR1HSP90AA1
SCHEMBL30457977 0.85 MEN1 (0.74) MEN1KMT2ANPC1AGTR1HSP90AA1
SCHEMBL12280972 0.83 MEN1 (1.00) MEN1KMT2ANPC1AGTR1HSP90AA1
SCHEMBL12281827 0.82 MEN1 (0.80) MEN1KMT2ANPC1AGTR1HSP90AA1
SCHEMBL9156121 0.81 AGTR1 (1.00) MEN1KMT2ANPC1AGTR1HSP90AA1
SCHEMBL3317100 0.80 CD74 (0.79) MEN1KMT2ANPC1AGTR1HSP90AA1
SCHEMBL3319480 0.80 CD74 (0.79) MEN1KMT2ANPC1AGTR1HSP90AA1
SCHEMBL3854732 0.79 MEN1 (0.77) MEN1KMT2ANPC1AGTR1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225610-A1 ANTIMETASTATIC COMPOUNDS HANSEN MARC (US) 2013-08-29 US disclosed
US-20130225610-A1 ANTIMETASTATIC COMPOUNDS HANSEN MARC (US) 2013-08-29 US disclosed
US-8481553-B2 Antimetastatic compounds BRIGHAM YOUNG UNIVERSITY (US) 2013-07-09 US disclosed
US-8481553-B2 Antimetastatic compounds BRIGHAM YOUNG UNIVERSITY (US) 2013-07-09 US disclosed
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-02-07 US disclosed
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-02-07 US disclosed
WO-2011127192-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2011-10-13 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 (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-20130225610-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF MEN1 391/4885KMT2A 3928/4885NPC1 1073/4885
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF MEN1 391/4885KMT2A 3928/4885NPC1 1073/4885

“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.