SCHEMBL9258380

SCHEMBL9258380

CC(C)(C)c1ccccc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.49
CRHR1 P34998 4/20 0.43
AHR P35869 1/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
S100A4 P26447 1/20 0.40
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR3 P46089 1/20 0.39
PDK2 Q15119 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
SCHEMBL28803407 0.86 HSD11B1 (0.47) HSD11B1CRHR1AHRNPC1ALDH1A1
SCHEMBL9258401 0.85 PTPN1 (0.42) HSD11B1ALDH1A1KDM4ES100A4TSHR
SCHEMBL9261398 0.82 CYP2A6 (0.44) HSD11B1NPC1ALDH1A1HPGDRAB9A
SCHEMBL12618386 0.81 CYP3A4 (0.44) HSD11B1HPGDSMN1; SMN2S100A4TSHR
SCHEMBL21652293 0.81 PDK2 (0.40) HSD11B1NPC1ALDH1A1RAB9ATSHR
SCHEMBL9257716 0.80 HSD11B1 (0.43) HSD11B1ALDH1A1S100A4TSHRTDP1
SCHEMBL9254227 0.80 TRPV4 (0.42) HSD11B1CRHR1NPC1ALDH1A1KDM4E
SCHEMBL29416163 0.78 AHR (0.52) HSD11B1CRHR1AHRNPC1ALDH1A1
SCHEMBL2934558 0.78 AHR (0.52) HSD11B1CRHR1AHRNPC1ALDH1A1
SCHEMBL11020611 0.77 ALDH1A1 (0.50) HSD11B1NPC1ALDH1A1RAB9ASMN1; SMN2

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 702/4885CRHR1 4139/4885AHR 987/4885

“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.