SCHEMBL1879574

SCHEMBL1879574

CCCOC(=O)/C=C/c1ccc(OC)c(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.59
ALOX5 P09917 1/20 0.56
CYP1A1 P04798 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP1B1 Q16678 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
AKR1B10 O60218 4/20 0.49
AKR1B1 P15121 4/20 0.49
CHRNA7 P36544 1/20 0.49
CYP3A4 P08684 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
NFE2L2 Q16236 2/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL1879576 1.00 ABCG2 (0.59) ABCG2ALOX5CYP1A1CYP1A2CYP2D6
SCHEMBL1880416 0.92 ABCG2 (0.57) ABCG2ALOX5CYP1A1CYP1A2CYP2D6
SCHEMBL1880415 0.92 ABCG2 (0.57) ABCG2ALOX5CYP1A1CYP1A2CYP2D6
SCHEMBL29069534 0.90 ABCG2 (0.54) ABCG2CYP1A1CYP1A2CYP2D6CYP1B1
SCHEMBL1879385 0.89 ALOX5 (0.60) ABCG2ALOX5SMN1; SMN2AKR1B10AKR1B1
SCHEMBL1879383 0.89 ALOX5 (0.60) ABCG2ALOX5SMN1; SMN2AKR1B10AKR1B1
SCHEMBL1884884 0.89 ABCG2 (0.62) ABCG2ALOX5CYP1A1CYP1A2CYP2D6
SCHEMBL1884886 0.89 ABCG2 (0.62) ABCG2ALOX5CYP1A1CYP1A2CYP2D6
SCHEMBL536158 0.85 LMNA (0.57) ABCG2CYP1A1CYP1A2CYP2D6CYP1B1
SCHEMBL536156 0.85 LMNA (0.57) ABCG2CYP1A1CYP1A2CYP2D6CYP1B1

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 ABCG2 1037/4885ALOX5 32/4885CYP1A1 4/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA ABCG2 1037/4885ALOX5 32/4885CYP1A1 4/4885

“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.