SCHEMBL12280972

SCHEMBL12280972

COc1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 14/20 1.00
▸ KMT2A Q03164 14/20 1.00
▸ NPC1 O15118 9/20 1.00
▸ RAB9A P51151 7/20 1.00
▸ POLB P06746 1/20 1.00
▸ OPRK1 P41145 1/20 1.00
▸ AGTR1 P30556 3/20 0.77
▸ APP P05067 1/20 0.73
▸ HSP90AA1 P07900 2/20 0.71
▸ ECE2 P0DPD6 2/20 0.71
▸ ATM Q13315 2/20 0.69
▸ PIM1 P11309 1/20 0.66
▸ KDM4E B2RXH2 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ TLR9 Q9NR96 1/20 0.64
▸ CD74 P04233 1/20 0.63
▸ MIF P14174 1/20 0.63

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
SCHEMBL12281827 0.89 MEN1 (0.80) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL9156121 0.87 AGTR1 (1.00) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL12281824 0.86 MEN1 (0.75) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL12281794 0.85 KMT2A (0.73) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3854732 0.84 MEN1 (0.77) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL12281165 0.83 MEN1 (1.00) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL10036065 0.83 GLA (0.78) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL11062170 0.83 GLA (0.78) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL4711152 0.83 APP (0.84) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL4711155 0.83 APP (0.84) MEN1KMT2ANPC1RAB9APOLB

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.

Send feedback