SCHEMBL457527

SCHEMBL457527

[SeH]c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
BACE1 P56817 1/20 0.46
PTPN1 P18031 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
NPC1 O15118 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPRT1 P00492 1/20 0.40
PTGS1 P23219 1/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
XBP1 P17861 1/20 0.40
PTBP1 P26599 1/20 0.40
GALK1 P51570 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL7896700 0.80 METAP2 (0.46) ALDH1A1BACE1HPRT1LMNAMAPT
SCHEMBL8928083 0.76 ALDH1A1 (0.50) ALDH1A1BACE1PTPN1CRHBPCRHR2
SCHEMBL22064851 0.74 CYP2A6 (0.50) ALDH1A1BACE1PTPN1CRHBPCRHR2
SCHEMBL309669 0.74 PTPN1 (0.50) ALDH1A1BACE1PTPN1CRHBPCRHR2
SCHEMBL96797 0.74 ALDH1A1 (0.47) ALDH1A1BACE1PTPN1CRHBPCRHR2
SCHEMBL18388982 0.74 ALDH1A1 (0.47) ALDH1A1BACE1PTPN1CRHBPCRHR2
SCHEMBL456551 0.74 ALDH1A1 (0.47) ALDH1A1BACE1PTPN1CRHBPCRHR2
SCHEMBL20663065 0.74 PTGS1 (0.58) ALDH1A1BACE1PTPN1CRHBPCRHR2
SCHEMBL22064850 0.74 ALDH1A1 (0.47) ALDH1A1BACE1PTPN1CRHBPCRHR2
SCHEMBL1638704 0.74 IKBKB (0.51) ALDH1A1BACE1PTPN1HTTMEN1

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-9457347-B2 Olefin metathesis catalysts BERGEN TEKNOLOGIOVERFORING AS (NO) 2016-10-04 US disclosed
EP-2613878-B1 NOVEL OLEFIN METATHESIS CATALYSTS BERGEN TEKNOLOGIOVERFØRING AS (NO) 2016-07-27 EP disclosed
US-20140357478-A1 NOVEL OLEFIN METATHESIS CATALYSTS BERGEN TEKNOLOGIOVERFORING AS (NO) 2014-12-04 US disclosed
US-8716488-B2 Olefin metathesis catalysts BERGEN TEKNOLOGIOVERFORING AS (NO) 2014-05-06 US disclosed
EP-2613878-A1 NOVEL OLEFIN METATHESIS CATALYSTS Bergen Teknologioverforing AS (NO) 2013-07-17 EP disclosed
US-20130023665-A1 NOVEL OLEFIN METATHESIS CATALYSTS BERGEN TEKNOLOGIOVERFORING AS (NO) 2013-01-24 US disclosed
WO-2012032131-A1 NOVEL OLEFIN METATHESIS CATALYSTS BERGEN TEKNOLOGIOVERFØRING AS (NO) 2012-03-15 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-20140357478-A1 NOVEL OLEFIN METATHESIS CATALYSTS OCIAD2, OCIAD1, OXER1 ALDH1A1 1398/4885BACE1 2891/4885PTPN1 4481/4885
US-20130023665-A1 NOVEL OLEFIN METATHESIS CATALYSTS OCIAD2, OCIAD1, OXER1 ALDH1A1 1398/4885BACE1 2891/4885PTPN1 4481/4885

“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.