SCHEMBL9260944

SCHEMBL9260944

CC(C)c1ccc(F)c(-c2ccccc2C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
PDK2 Q15119 1/20 0.40
LMNA P02545 1/20 0.38
FFAR1 O14842 5/20 0.35
NR1H3 Q13133 1/20 0.35
PTPN5 P54829 1/20 0.34
TRPA1 O75762 4/20 0.33
CRHR1 P34998 2/20 0.33
PTGS1 P23219 1/20 0.33
CACNA1C Q13936 1/20 0.33
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRIA4 P48058 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
SCHEMBL9260957 0.87 AKR1C3 (0.55) AKR1C3AKR1C2PDK2LMNAPTGS1
SCHEMBL9261492 0.81 LMNA (0.38) AKR1C3AKR1C2PDK2LMNANR1H3
SCHEMBL9257716 0.78 HSD11B1 (0.43) PDK2LMNAALDH1A1TSHRTDP1
SCHEMBL17123654 0.77 CYP2D6 (0.38) AKR1C3AKR1C2PDK2LMNATRPA1
SCHEMBL12220280 0.76 FFAR1 (0.51) AKR1C3AKR1C2FFAR1
SCHEMBL24910320 0.75 AKR1C3 (0.51) AKR1C3AKR1C2PDK2LMNAPTPN5
SCHEMBL24910037 0.74 AKR1C3 (0.55) AKR1C3AKR1C2PDK2LMNATRPA1
SCHEMBL24910185 0.74 AKR1C3 (0.51) AKR1C3AKR1C2PDK2LMNAPTPN5
SCHEMBL9289969 0.74 ALOX5AP (0.39) PDK2LMNANR1H3CRHR1GRIA4
SCHEMBL13524522 0.74 LMNA (0.50) AKR1C3AKR1C2PDK2LMNAFFAR1

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 AKR1C3 2800/4885AKR1C2 3182/4885PDK2 4082/4885

“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.