SCHEMBL3733260

SCHEMBL3733260

COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.86
MEN1 O00255 2/20 0.86
KMT2A Q03164 2/20 0.86
CXCL12 P48061 1/20 0.80
TNFRSF1A P19438 1/20 0.77
ALDH1A1 P00352 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
KRAS P01116 1/20 0.75
ATM Q13315 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
CA1 P00915 1/20 0.75
CA2 P00918 1/20 0.75
CYP1A1 P04798 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP1B1 Q16678 1/20 0.71
PDE4A P27815 1/20 0.69
PDE4B Q07343 1/20 0.69
PDE4C Q08493 1/20 0.69
PDE4D Q08499 1/20 0.69

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
SCHEMBL8169633 0.91 ABCG2 (0.86) ABCG2MEN1KMT2ACXCL12TNFRSF1A
SCHEMBL3733263 0.91 ABCG2 (0.86) ABCG2MEN1KMT2ACXCL12TNFRSF1A
SCHEMBL2249172 0.89 CXCL12 (1.00) ABCG2MEN1KMT2ACXCL12ALDH1A1
SCHEMBL25201290 0.89 CXCL12 (1.00) ABCG2MEN1KMT2ACXCL12ALDH1A1
SCHEMBL30383469 0.89 CXCL12 (1.00) ABCG2MEN1KMT2ACXCL12ALDH1A1
SCHEMBL25199011 0.89 CXCL12 (0.81) ABCG2MEN1KMT2ACXCL12ALDH1A1
SCHEMBL2246091 0.89 CXCL12 (1.00) ABCG2MEN1KMT2ACXCL12ALDH1A1
SCHEMBL25198994 0.89 CXCL12 (0.81) ABCG2MEN1KMT2ACXCL12ALDH1A1
SCHEMBL30384286 0.89 CXCL12 (1.00) ABCG2MEN1KMT2ACXCL12ALDH1A1
SCHEMBL28261929 0.89 ABCG2 (0.76) ABCG2MEN1KMT2ACXCL12TNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US 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 (1 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 ABCG2 3975/4885MEN1 1772/4885KMT2A 364/4885

“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.