SCHEMBL13201446

SCHEMBL13201446

Cc1cc(CO)cc2c1oc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.47
AHR P35869 1/20 0.42
NQO1 P15559 1/20 0.41
MAOA P21397 2/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
ALOX5 P09917 2/20 0.38
DYRK1A Q13627 1/20 0.36
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
IKBKB O14920 1/20 0.36

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
SCHEMBL13218232 0.81 AHR (0.42) AHRMAOACYP1A2CYP2C19CYP2D6
SCHEMBL13218241 0.81 AHR (0.54) TTRAHRCYP1A2CYP2C19CYP2D6
SCHEMBL13201443 0.79 ALDH1A1 (0.46) TTRAHRCYP1A2CYP2C19SMN1; SMN2
SCHEMBL12799786 0.78 TTR (0.49) TTRAHRMAOACYP1A2SMN1; SMN2
SCHEMBL23176963 0.75 ALDH1A1 (0.55) TTRAHRNQO1MAOACYP1A2
SCHEMBL19607144 0.75 TTR (0.47) TTRAHRMAOACYP1A2CYP2C19
SCHEMBL21912830 0.75 TTR (0.47) TTRAHRMAOACYP1A2SMN1; SMN2
SCHEMBL22815436 0.75 AHR (0.60) TTRAHRMAOACYP1A2CYP2C19
SCHEMBL19721319 0.75 TTR (0.47) TTRAHRMAOACYP1A2CYP2C19
SCHEMBL2966131 0.74 CYP1A2 (0.60) AHRMAOACYP1A2CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 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 (1 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-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A TTR 592/4885AHR 190/4885NQO1 2016/4885

“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.