SCHEMBL1881561

SCHEMBL1881561

COc1ccc(C=CC(C)=O)c(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.71
CYP1A1 P04798 4/20 0.62
CYP1B1 Q16678 4/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 2/20 0.62
NPC1 O15118 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KDM4E B2RXH2 1/20 0.60
NFE2L2 Q16236 2/20 0.57
CHRNA7 P36544 1/20 0.57
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
ALOX5 P09917 1/20 0.52
ABCB1 P08183 1/20 0.52
CYP19A1 P11511 1/20 0.51
MAPT P10636 1/20 0.48

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
SCHEMBL1881558 1.00 ABCG2 (0.71) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL2744097 0.88 ABCG2 (0.73) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL2743991 0.88 ABCG2 (0.73) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL9907023 0.87 ABCG2 (0.64) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL26046380 0.87 KDM4E (0.57) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL1877092 0.87 KDM4E (0.57) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL1877093 0.87 KDM4E (0.57) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL285232 0.86 ABCG2 (0.71) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL30560976 0.86 ABCG2 (0.71) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL285231 0.86 ABCG2 (0.71) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0402469-B1 CATECHOL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATION CONTAINING SAME TERUMO CORP (JP) 1994-06-01 EP disclosed
EP-0402469-A1 CATECHOL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATION CONTAINING SAME TERUMO KABUSHIKI KAISHA (JP) 1990-12-19 EP disclosed
US-4927958-A ANTIULCER HOFFMANN-LA ROCHE INC. (US) 1990-05-22 US disclosed
EP-0282897-A2 Ethynyl- and ethenylstyryl ketones F. HOFFMANN-LA ROCHE AG (CH) 1988-09-21 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 ABCG2 1037/4885CYP1A1 4/4885CYP1B1 13/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA ABCG2 1037/4885CYP1A1 4/4885CYP1B1 13/4885

“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.