SCHEMBL9260957

SCHEMBL9260957

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.55
AKR1C2 P52895 9/20 0.55
PDK2 Q15119 1/20 0.43
PTGS1 P23219 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
PTGS2 P35354 2/20 0.41
MAPT P10636 2/20 0.41
FABP2 P12104 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C4 P17516 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL9260944 0.87 AKR1C3 (0.42) AKR1C3AKR1C2PDK2PTGS1LMNA
SCHEMBL12570870 0.83 AKR1C3 (0.48) AKR1C3AKR1C2PDK2PTGS1MEN1
SCHEMBL9261492 0.77 LMNA (0.38) AKR1C3AKR1C2PDK2PTGS1MEN1
SCHEMBL24910037 0.77 AKR1C3 (0.55) AKR1C3AKR1C2PDK2LMNATSHR
SCHEMBL10267400 0.77 LMNA (0.38) AKR1C3AKR1C2PDK2PTGS1LMNA
SCHEMBL19393147 0.77 AKR1C3 (0.47) AKR1C3AKR1C2PDK2PTGS1MEN1
SCHEMBL22346200 0.75 ALDH1A1 (0.46) AKR1C3AKR1C2PDK2PTGS1MEN1
SCHEMBL24910239 0.75 AKR1C3 (0.55) AKR1C3AKR1C2PDK2LMNATSHR
SCHEMBL16075900 0.74 AKR1C3 (0.70) AKR1C3AKR1C2PDK2PTGS1MEN1
SCHEMBL9289363 0.74 ALOX5AP (0.45) AKR1C3AKR1C2PDK2PTGS1MEN1

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.