SCHEMBL1879622

SCHEMBL1879622

COc1ccc(/C=C/C(=O)OCC(C)C)c(OC)c1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.46
AKR1B10 O60218 6/20 0.44
AKR1B1 P15121 6/20 0.44
ABCB1 P08183 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NFE2L2 Q16236 2/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CHRNA7 P36544 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MET P08581 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL1879623 1.00 ABCG2 (0.46) ABCG2AKR1B10AKR1B1ABCB1L3MBTL1
SCHEMBL1878197 0.90 ABCG2 (0.58) ABCG2AKR1B10AKR1B1ABCB1L3MBTL1
SCHEMBL1878198 0.90 ABCG2 (0.58) ABCG2AKR1B10AKR1B1ABCB1L3MBTL1
SCHEMBL1883743 0.85 MAOB (0.54) ABCG2AKR1B10AKR1B1L3MBTL1NFE2L2
SCHEMBL1883744 0.85 MAOB (0.54) ABCG2AKR1B10AKR1B1L3MBTL1NFE2L2
SCHEMBL1879385 0.83 ALOX5 (0.60) ABCG2AKR1B10AKR1B1SMN1; SMN2MET
SCHEMBL1879383 0.83 ALOX5 (0.60) ABCG2AKR1B10AKR1B1SMN1; SMN2MET
SCHEMBL1879263 0.83 ABCG2 (0.49) ABCG2AKR1B10AKR1B1ABCB1NFE2L2
SCHEMBL1879260 0.83 ABCG2 (0.49) ABCG2AKR1B10AKR1B1ABCB1NFE2L2
SCHEMBL1878033 0.82 ABCG2 (0.54) ABCG2NFE2L2CYP1A1CYP1A2CYP2D6

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 1037/4885AKR1B10 74/4885AKR1B1 44/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA ABCG2 1037/4885AKR1B10 74/4885AKR1B1 44/4885

“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.