SCHEMBL9254072

SCHEMBL9254072

CC(C)(C)c1ccccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.49
AHR P35869 5/20 0.48
HSD11B1 P28845 1/20 0.44
PTGER1 P34995 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RORB Q92753 1/20 0.37

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
SCHEMBL9262835 0.84 PTGS2 (0.54) TRPA1ADORA1
SCHEMBL21652229 0.83 AHR (0.44) TRPA1AHRHSD11B1CYP1B1ALDH1A1
SCHEMBL9263205 0.82 CHEK1 (0.46) TRPA1ALDH1A1RAB9ANPC1TSHR
SCHEMBL12597777 0.79 PTGS2 (0.47) TRPA1ALDH1A1RAB9ANPC1KDM4E
SCHEMBL9258898 0.78 TRPA1 (0.45) TRPA1RAB9ANPC1ADORA1DHFR
SCHEMBL12618083 0.78 CYP2A6 (0.47) TRPA1HSD11B1
SCHEMBL3111742 0.76 AHR (0.60) TRPA1AHRHSD11B1PTGER1PTGER3
SCHEMBL29617534 0.76 AHR (0.60) TRPA1AHRHSD11B1PTGER1PTGER3
SCHEMBL27759221 0.76 CYP2A6 (0.54) TRPA1HSD11B1ALDH1A1RAB9ANPC1
SCHEMBL3749078 0.75 AHR (0.54) TRPA1AHRHSD11B1PTGER1PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP TRPA1 3202/4885AHR 987/4885HSD11B1 702/4885

“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.