SCHEMBL13802256

SCHEMBL13802256

CCc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.66
AKR1C2 P52895 8/20 0.66
AKR1C4 P17516 2/20 0.64
AKR1C1 Q04828 2/20 0.64
LMNA P02545 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C9 P11712 2/20 0.61
HIF1A Q16665 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
PPARG P37231 4/20 0.60
PTGS1 P23219 2/20 0.60
PTGS2 P35354 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
PTGES O14684 1/20 0.60
ABCC3 O15438 1/20 0.60
ABCC4 O15439 1/20 0.60

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
SCHEMBL13802395 0.89 AKR1C3 (0.68) AKR1C3AKR1C2AKR1C4AKR1C1LMNA
SCHEMBL13802393 0.89 AKR1C3 (0.71) AKR1C3AKR1C2AKR1C4AKR1C1LMNA
SCHEMBL13802261 0.89 AKR1C3 (0.67) AKR1C3AKR1C2AKR1C4AKR1C1LMNA
SCHEMBL5554099 0.88 AKR1C3 (0.83) AKR1C3AKR1C2AKR1C4AKR1C1LMNA
SCHEMBL3005490 0.88 PTGS1 (0.71) AKR1C3AKR1C2AKR1C4AKR1C1LMNA
SCHEMBL13802249 0.88 AKR1C3 (0.74) AKR1C3AKR1C2AKR1C4AKR1C1LMNA
SCHEMBL4201846 0.87 AKR1C3 (0.70) AKR1C3AKR1C2AKR1C4AKR1C1LMNA
SCHEMBL16557623 0.86 AKR1C3 (0.71) AKR1C3AKR1C2AKR1C4AKR1C1LMNA
SCHEMBL4205369 0.85 ABCB1 (0.69) AKR1C3AKR1C2AKR1C4AKR1C1LMNA
SCHEMBL5801150 0.84 AKR1C3 (0.87) AKR1C3AKR1C2AKR1C4AKR1C1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 AKR1C3 570/4885AKR1C2 653/4885AKR1C4 1211/4885

“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.