SCHEMBL7589057

SCHEMBL7589057

CCc1ccc2cc(C[C@H](O)CC(=O)OC)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 1/20 0.42
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS1 P23219 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
RIOK2 Q9BVS4 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
ABCB1 P08183 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6802397 0.83 AKR1C3 (0.53) AKR1C3AKR1C2CYP1A2CYP2A6PTGS1
SCHEMBL6798261 0.83 AKR1C3 (0.53) AKR1C3AKR1C2CYP1A2CYP2A6PTGS1
SCHEMBL6796335 0.82 AKR1C3 (0.48) AKR1C3AKR1C2CYP1A2CYP2A6PPARG
SCHEMBL6803645 0.82 AKR1C3 (0.48) AKR1C3AKR1C2CYP1A2CYP2A6PPARG
SCHEMBL8902344 0.78 LDHA (0.57) PPARGPPARAMMP1
SCHEMBL12419939 0.78 ALDH1A1 (0.54) AKR1C3AKR1C2CYP1A2CYP2A6MAPT
SCHEMBL13577590 0.75 CYP1A2 (0.54) AKR1C3AKR1C2CYP1A2CYP2A6MAPT
SCHEMBL7633821 0.74 ABCB1 (0.57) CYP1A2NPC1RAB9APPARGPPARA
SCHEMBL6801906 0.74 AKR1C3 (0.47) AKR1C3AKR1C2CYP1A2CYP2A6MAPT
SCHEMBL22624583 0.73 SLC7A5 (0.45) CYP1A2ABCB1LMNACYP3A4SLC7A5

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-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 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-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B AKR1C3 733/4885AKR1C2 728/4885CYP1A2 496/4885

“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.