SCHEMBL12281174

SCHEMBL12281174

COc1cc(/C=C/c2ccc3cccc(OCc4ccccc4Cl)c3n2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 12/20 0.59
▸ MEN1 O00255 10/20 0.59
▸ NPC1 O15118 9/20 0.59
▸ RAB9A P51151 8/20 0.59
▸ AGTR1 P30556 3/20 0.59
▸ FNTA P49354 1/20 0.57
▸ FNTB P49356 1/20 0.57
▸ ATM Q13315 2/20 0.52
▸ POLB P06746 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ DHFR P00374 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL12281839 0.82 AGTR1 (0.79) KMT2AMEN1NPC1RAB9AAGTR1
SCHEMBL12281983 0.76 KMT2A (0.54) KMT2AMEN1NPC1RAB9AAGTR1
SCHEMBL16872913 0.75 AGTR1 (0.67) KMT2AMEN1NPC1RAB9AAGTR1
SCHEMBL12280975 0.75 KMT2A (0.81) KMT2AMEN1NPC1RAB9AAGTR1
SCHEMBL15613248 0.75 AGTR1 (0.67) KMT2AMEN1NPC1RAB9AAGTR1
SCHEMBL9156121 0.75 AGTR1 (1.00) KMT2AMEN1NPC1RAB9AAGTR1
SCHEMBL14681421 0.72 KMT2A (0.60) KMT2AMEN1NPC1RAB9AAGTR1
SCHEMBL14681380 0.72 KMT2A (0.56) KMT2AMEN1NPC1RAB9AAGTR1
SCHEMBL28439930 0.72 GLA (0.75) KMT2AMEN1NPC1RAB9AAGTR1
SCHEMBL28439928 0.72 GLA (0.75) KMT2AMEN1NPC1RAB9AAGTR1

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.

Send feedback