SCHEMBL20135217

SCHEMBL20135217

CCC1(c2ccc(C)cc2)CC(=O)NC1=O

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.73
CYP3A4 P08684 2/20 0.53
CYP17A1 P05093 1/20 0.53
CYP11A1 P05108 1/20 0.53
TBXAS1 P24557 1/20 0.53
PMP22 Q01453 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE3A Q14432 1/20 0.53
NFKB1 P19838 1/20 0.53
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL9017823 0.85 CYP19A1 (0.71) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL9634038 0.85 CYP19A1 (1.00) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL11841553 0.84 CYP19A1 (0.71) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL11840135 0.84 CYP19A1 (0.71) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL16509358 0.83 CYP19A1 (0.75) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL20135247 0.81 CYP19A1 (0.66) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL20135057 0.73 CYP19A1 (0.71) CYP19A1TSHRNPSR1
SCHEMBL14466635 0.71 CYP19A1 (0.52) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL20135419 0.69 CYP19A1 (0.53) CYP19A1
Rogletimide SCHEMBL4281 0.69 CYP19A1 (1.00) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP 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 (2 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 CYP19A1 2754/4885CYP3A4 1096/4885CYP17A1 1727/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CYP19A1 2331/4885CYP3A4 811/4885CYP17A1 1713/4885

“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.