SCHEMBL12280979

SCHEMBL12280979

CCOc1cccc(/C=C/c2ccc3cccc(OC)c3n2)c1OC(C)=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 17/20 0.74
▸ MEN1 O00255 15/20 0.74
▸ NPC1 O15118 15/20 0.74
▸ RAB9A P51151 13/20 0.74
▸ MAPT P10636 10/20 0.74
▸ SMN1; SMN2 Q16637 6/20 0.74
▸ ALDH1A1 P00352 6/20 0.74
▸ MAPK1 P28482 2/20 0.74
▸ L3MBTL1 Q9Y468 2/20 0.74
▸ AGTR1 P30556 3/20 0.67
▸ ATM Q13315 1/20 0.67
▸ LMNA P02545 4/20 0.67
▸ GAA P10253 1/20 0.67
▸ KDM4E B2RXH2 3/20 0.66
▸ POLB P06746 2/20 0.66
▸ HTT P42858 3/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59

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
SCHEMBL16872924 0.82 KMT2A (0.66) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL15613229 0.82 KMT2A (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL12281283 0.81 KMT2A (0.76) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4710358 0.78 MEN1 (0.69) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4710359 0.78 MEN1 (0.69) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL12281829 0.77 KMT2A (0.72) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL12282406 0.76 KMT2A (0.62) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL14681431 0.74 KMT2A (1.00) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL12280667 0.74 KMT2A (0.66) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL12281168 0.73 KMT2A (0.59) KMT2AMEN1NPC1RAB9AMAPT

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 KMT2A 3928/4885MEN1 391/4885NPC1 1073/4885
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF KMT2A 3928/4885MEN1 391/4885NPC1 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.

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