SCHEMBL7720635

SCHEMBL7720635

COc1ccc2c(F)c(F)c(F)c(F)c2c1-c1c(OC)ccc2c(F)c(F)c(F)c(F)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
S1PR4 O95977 1/20 0.36
HSP90AA1 P07900 1/20 0.36
G6PD P11413 1/20 0.36
S1PR1 P21453 1/20 0.36
OPRK1 P41145 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
MCL1 Q07820 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TLR9 Q9NR96 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CA1 P00915 2/20 0.35

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
SCHEMBL16222419 0.91 HIF1A (0.36) HIF1AEPAS1MAPTKDM4EMAPK1
SCHEMBL16365919 0.88 HIF1A (0.34) HIF1AEPAS1MAPTKDM4EMAPK1
SCHEMBL14297115 0.88 HIF1A (0.34) HIF1AEPAS1MAPTKDM4EMAPK1
SCHEMBL14314327 0.88 KDM4E (0.39) HIF1AEPAS1MAPTKDM4EMAPK1
SCHEMBL16219591 0.87 ALOX5AP (0.33) HIF1AEPAS1MAPTALDH1A1GAA
SCHEMBL16882305 0.84 HIF1A (0.39) HIF1AEPAS1MAPTKDM4EMAPK1
SCHEMBL7723490 0.79 CYP1A2 (0.33) MAPTCA1CA2CA7CA9
SCHEMBL14297124 0.79
SCHEMBL3447232 0.77 CA2 (0.41) MAPTKDM4EMAPK1HTTRAB9A
SCHEMBL7721793 0.76 ALDH1A1 (0.38) MAPTKDM4EHTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261573-A2 ASYMMETRIC LIGANDS HAVING USE AS CATALYSTS 1428388 Ontario Limited (CA) 2002-12-04 EP claimed
WO-2001007386-A2 ASYMMETRIC LIGANDS HAVING USE AS CATALYSTS 1428388 ONTARIO LIMITED (CA) 2001-02-01 WO claimed
US-9771386-B2 Z-selective ring-closing metathesis reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-09-26 US disclosed
US-20170129910-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS NATIONAL INSTITUTES OF HEALTH, U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, U.S. GOVERNMENT 2017-05-11 US disclosed
US-9446394-B2 Z-selective ring-closing metathesis reactions TRUSTEES OF BOSTON COLLEGE (US) 2016-09-20 US disclosed
US-9441059-B2 Metathesis catalysts and methods thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-13 US disclosed
US-20150246348-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2015-09-03 US disclosed
US-9073801-B2 Z-selective ring-closing metathesis reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-07-07 US disclosed
US-20140378637-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL SCIENCE FOUNDATION 2014-12-25 US disclosed
US-20140330018-A1 METATHESIS CATALYSTS AND METHODS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-11-06 US disclosed
EP-1261573-A2 ASYMMETRIC LIGANDS HAVING USE AS CATALYSTS 1428388 Ontario Limited (CA) 2002-12-04 EP disclosed
WO-2001007386-A2 ASYMMETRIC LIGANDS HAVING USE AS CATALYSTS 1428388 ONTARIO LIMITED (CA) 2001-02-01 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 (3 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-20140330018-A1 METATHESIS CATALYSTS AND METHODS THEREOF TERT, CYP19A1, MPO HIF1A 588/4885EPAS1 2016/4885MAPT 4037/4885
US-20150246348-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS ZYX, ZDHHC7, ZDHHC2 HIF1A 3522/4885EPAS1 2777/4885MAPT 3406/4885
US-20170129910-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS ZYX, ZDHHC7, ZDHHC2 HIF1A 3522/4885EPAS1 2777/4885MAPT 3406/4885

“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.