SCHEMBL9917017

SCHEMBL9917017

O=C(CO)OC1CC2CCC1C2

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.59
ATM Q13315 1/20 0.53
GRM1 Q13255 6/20 0.42
POLB P06746 1/20 0.38
EPHX2 P34913 3/20 0.36
EPHX1 P07099 1/20 0.34
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL950697 0.88 CYP19A1 (0.52) CYP19A1ATMGRM1POLBEPHX2
SCHEMBL14665410 0.88 CYP19A1 (0.52) CYP19A1ATMGRM1POLBEPHX2
SCHEMBL2995532 0.86 CYP19A1 (0.56) CYP19A1ATMGRM1POLBEPHX2
SCHEMBL4657482 0.86 CYP19A1 (0.56) CYP19A1ATMGRM1POLBEPHX2
SCHEMBL28223461 0.83 CYP19A1 (0.54) CYP19A1ATMGRM1POLBEPHX2
SCHEMBL26968959 0.83 CYP19A1 (0.54) CYP19A1ATMGRM1POLBEPHX2
SCHEMBL8861069 0.83 CYP19A1 (0.54) CYP19A1ATMGRM1POLBEPHX2
SCHEMBL2820777 0.83 CYP19A1 (0.54) CYP19A1ATMGRM1POLBEPHX2
SCHEMBL8861066 0.83 CYP19A1 (0.54) CYP19A1ATMGRM1POLBEPHX2
SCHEMBL2625630 0.81 ATM (0.54) CYP19A1ATMGRM1POLBEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120148954-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 US disclosed
CN-1239310-C Co-injection-drawing blow mouled container KURARAY CO (JP) 2006-02-01 CN disclosed
CN-1438108-A Co-injection-drawing blow mouled container KURARAY CO (JP) 2003-08-27 CN 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-20120148954-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION COASY, ARCN1, CLTB CYP19A1 627/4885ATM 871/4885GRM1 1966/4885

“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.