SCHEMBL12281904

SCHEMBL12281904

Oc1cccc2ccc(/C=C/c3ccc(OCc4ccccc4)cc3)nc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD74 P04233 1/20 0.66
▸ MIF P14174 1/20 0.66
▸ HRH3 Q9Y5N1 2/20 0.61
▸ MEN1 O00255 12/20 0.60
▸ KMT2A Q03164 12/20 0.60
▸ NPC1 O15118 10/20 0.60
▸ RAB9A P51151 6/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ MAPT P10636 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ HSP90AA1 P07900 4/20 0.54
▸ AGTR1 P30556 3/20 0.54
▸ ECE2 P0DPD6 1/20 0.54

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
SCHEMBL3319480 0.82 CD74 (0.79) CD74MIFMEN1KMT2ANPC1
SCHEMBL3317100 0.82 CD74 (0.79) CD74MIFMEN1KMT2ANPC1
SCHEMBL14681469 0.82 MEN1 (0.69) CD74MIFMEN1KMT2ANPC1
SCHEMBL10479271 0.81 RAB9A (0.63) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8344151 0.80 CD74 (1.00) CD74MIFMEN1KMT2ANPC1
SCHEMBL28200632 0.80 CD74 (0.77) CD74MIFMEN1KMT2ANPC1
SCHEMBL6428720 0.80 CD74 (0.77) CD74MIFMEN1KMT2ANPC1
SCHEMBL7691066 0.80 MEN1 (0.76) CD74MIFHRH3MEN1KMT2A
SCHEMBL7691068 0.80 MEN1 (0.76) CD74MIFHRH3MEN1KMT2A
SCHEMBL27864630 0.79 KDM4E (0.60) CD74MIFMEN1KMT2ANPC1

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 CD74 1352/4885MIF 27/4885HRH3 1555/4885
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF CD74 1352/4885MIF 27/4885HRH3 1555/4885

“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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