SCHEMBL2491707

SCHEMBL2491707

C#CC(O)(c1ccccc1)c1cc(OC)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CA4 P22748 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KIF11 P52732 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
ABL1 P00519 3/20 0.36
ABCB1 P08183 3/20 0.36
BCR P11274 3/20 0.36
CYP3A4 P08684 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL15171999 0.91 ACHE (0.36) PDE4APDE4BPDE4CPDE4DCA4
SCHEMBL15172001 0.91 ACHE (0.36) PDE4APDE4BPDE4CPDE4DCA4
SCHEMBL1817023 0.89 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL8131087 0.89 KIF11 (0.44) CA4SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL1011203 0.86 KIF11 (0.45) CA4SMN1; SMN2HTTLMNAKIF11
SCHEMBL15154726 0.83 KDM4E (0.35) SMN1; SMN2LMNAALDH1A1ABCB1CYP3A4
SCHEMBL23919140 0.82 LTA4H (0.53) CA4SMN1; SMN2HTTLMNAALDH1A1
Dimethylamine SCHEMBL6491084 0.82 LMNA (0.43) CA4SMN1; SMN2NPC1HTTRAB9A
SCHEMBL11914194 0.81 ALDH1A1 (0.38) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL11573349 0.81 TUBB4A (0.42) PDE4DSMN1; SMN2HTTALDH1A1CYP3A4

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
WO-2012156591-A1 RUTHNIUM-BASED CATALYTIC COMPOSITION INCLUDING A SILANE OR SILOXANE COMPOUND AND METHOD FOR METHASIZING OLEFINS USING SAID COMPOSITION IFP Energies Nouvelles (FR) 2012-11-22 WO claimed
US-20170022232-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS SCHRODI YANN (US) 2017-01-26 US disclosed
US-20170022232-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS SCHRODI YANN (US) 2017-01-26 US disclosed
US-9273081-B2 Method for in-situ formation of metathesis catalysts ExxonMobil Product Solutions Company 2016-03-01 US disclosed
US-9273081-B2 Method for in-situ formation of metathesis catalysts ExxonMobil Product Solutions Company 2016-03-01 US disclosed
US-20150299235-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS ExxonMobil Product Solutions Company 2015-10-22 US disclosed
US-20150299235-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS ExxonMobil Product Solutions Company 2015-10-22 US disclosed
US-20130204026-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS MATERIA, INC. (US) 2013-08-08 US disclosed
US-20130204026-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS MATERIA, INC. (US) 2013-08-08 US disclosed
WO-2012156591-A1 RUTHNIUM-BASED CATALYTIC COMPOSITION INCLUDING A SILANE OR SILOXANE COMPOUND AND METHOD FOR METHASIZING OLEFINS USING SAID COMPOSITION IFP Energies Nouvelles (FR) 2012-11-22 WO disclosed
WO-2011119778-A2 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS SCHRODI YANN (US) 2011-09-29 WO disclosed
WO-2011119778-A2 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS SCHRODI YANN (US) 2011-09-29 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-20150299235-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS CHRM1, ACSL1, LOXL1 PDE4A 4879/4885PDE4B 4880/4885PDE4C 4855/4885
US-20170022232-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS CHRM1, ACSL1, LOXL1 PDE4A 4879/4885PDE4B 4880/4885PDE4C 4855/4885
US-20130204026-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS CHRM1, ACSL1, LOXL1 PDE4A 4879/4885PDE4B 4880/4885PDE4C 4855/4885

“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.