SCHEMBL1879267

SCHEMBL1879267

COc1cc(OC)c(/C=C/C#N)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.51
CYP1B1 Q16678 7/20 0.51
CYP1A2 P05177 5/20 0.51
ABCG2 Q9UNQ0 1/20 0.47
FDPS P14324 1/20 0.45
ERN1 O75460 1/20 0.44
MAOA P21397 2/20 0.42
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
AURKA O14965 1/20 0.40
CHRNA7 P36544 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1879269 1.00 CYP1A1 (0.51) CYP1A1CYP1B1CYP1A2ABCG2FDPS
SCHEMBL11442921 0.79 TUBB4A (0.58) CYP1A1CYP1B1CYP1A2FDPSPDE4A
SCHEMBL545251 0.78 CYP1A1 (0.49) CYP1A1CYP1B1CYP1A2ABCG2FDPS
SCHEMBL545250 0.78 CYP1A1 (0.49) CYP1A1CYP1B1CYP1A2ABCG2FDPS
SCHEMBL18480811 0.78 CYP1A1 (0.56) CYP1A1CYP1B1CYP1A2ABCG2ERN1
SCHEMBL16414309 0.78 FDPS (0.43) CYP1A1CYP1B1CYP1A2FDPSPDE4A
SCHEMBL16414310 0.78 FDPS (0.43) CYP1A1CYP1B1CYP1A2FDPSPDE4A
SCHEMBL28747991 0.77 CYP1A2 (0.70) CYP1A1CYP1B1CYP1A2
SCHEMBL597012 0.76 CYP1A1 (0.64) CYP1A1CYP1B1CYP1A2ABCG2FDPS
SCHEMBL597011 0.76 CYP1A1 (0.64) CYP1A1CYP1B1CYP1A2ABCG2FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666440-B1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-01-22 EP disclosed
US-7939674-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-10 US disclosed
US-7700642-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-20 US disclosed
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
EP-1666440-A1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-06-07 EP 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-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound AHR, AR, ARSA CYP1A1 4/4885CYP1B1 13/4885CYP1A2 50/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA CYP1A1 4/4885CYP1B1 13/4885CYP1A2 50/4885

“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.