SCHEMBL10131184

SCHEMBL10131184

CC(C)C=Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.48
CYP1A2 P05177 1/20 0.45
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
HSD17B10 Q99714 1/20 0.42
FBP1 P09467 1/20 0.42
MAOB P27338 2/20 0.40
NFE2L2 Q16236 2/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL14465008 1.00 AHR (0.48) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL9967711 1.00 AHR (0.48) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL30953547 0.83 AHR (0.43) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL12784385 0.82 ADRB2 (0.46) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL2080028 0.82 ADRB2 (0.46) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL12784436 0.82 ADRB2 (0.46) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL2077776 0.82 ADRB2 (0.46) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL10365515 0.82 AHR (0.45) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL2077774 0.82 ADRB2 (0.46) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL23623944 0.81 TYR (0.54) PTGS1PTGS2NFE2L2

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
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US 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 (4 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 AHR 2449/4885CYP1A2 104/4885ALOX5 736/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 AHR 2449/4885CYP1A2 104/4885ALOX5 736/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 AHR 2449/4885CYP1A2 104/4885ALOX5 736/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 AHR 2449/4885CYP1A2 104/4885ALOX5 736/4885

“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.