SCHEMBL9263223

SCHEMBL9263223

Cc1cc(Cl)cc(-c2ccccc2C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.41
TRPA1 O75762 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM1 P11229 1/20 0.38
CA2 P00918 2/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDK2 Q15119 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPRC P08575 1/20 0.33
IDO1 P14902 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
BRD7 Q9NPI1 1/20 0.32

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
SCHEMBL9258465 0.81 HSD11B1 (0.40) HSD11B1TRPA1CNR1CNR2ALDH1A1
SCHEMBL9258898 0.79 TRPA1 (0.45) TRPA1ADORA2AADORA1TSHRCHRM1
SCHEMBL12945592 0.78 ADORA2A (0.43) TRPA1ADORA2AADORA1CNR1CNR2
SCHEMBL21652229 0.77 AHR (0.44) HSD11B1TRPA1ALDH1A1TSHRTDP1
SCHEMBL12597777 0.76 PTGS2 (0.47) TRPA1CNR1CNR2ALDH1A1TSHR
SCHEMBL8819364 0.75 ADORA1 (0.41) HSD11B1ADORA2AADORA1CNR1CNR2
SCHEMBL21652293 0.74 PDK2 (0.40) HSD11B1TRPA1CNR1CNR2ALDH1A1
SCHEMBL28582164 0.73 TRPA1 (0.43) HSD11B1TRPA1ALDH1A1TSHRTDP1
SCHEMBL25815497 0.72 ENPP3 (0.44) ADORA2AADORA1CNR1CNR2ALDH1A1
SCHEMBL9288003 0.72 CHRM1 (0.43) TRPA1ADORA2AADORA1CHRM1CA2

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 HSD11B1 702/4885TRPA1 3202/4885ADORA2A 3937/4885

“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.