SCHEMBL19366287

SCHEMBL19366287

COc1cc2c(cc1OC(=O)n1ccnc1)CCC(C(C)C)C2C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MTNR1B P49286 3/20 0.35
MTNR1A P48039 2/20 0.35
NQO2 P16083 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TBXAS1 P24557 1/20 0.34
BRD4 O60885 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAOA P21397 1/20 0.33
NPC1 O15118 1/20 0.33
PDE4B Q07343 1/20 0.32

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
SCHEMBL19366285 0.89 MAOA (0.33) SMN1; SMN2KDM4EMTNR1BMTNR1ANQO2
SCHEMBL17538347 0.89 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EMTNR1BMTNR1ANQO2
SCHEMBL17531504 0.89 SLC18A2 (0.34) SMN1; SMN2KDM4EMTNR1BMTNR1ANQO2
SCHEMBL17531505 0.78 SLC18A2 (0.32) SMN1; SMN2KMT2AMEN1DPP4DPP8
SCHEMBL17538348 0.77 MAOA (0.36) SMN1; SMN2KDM4EMTNR1BMTNR1ANQO2
SCHEMBL17531484 0.74 CYP24A1 (0.36) SMN1; SMN2TBXAS1DPP4DPP8
SCHEMBL17538342 0.71 TBXAS1 (0.40) SMN1; SMN2TBXAS1
SCHEMBL17538357 0.68 CYP19A1 (0.49) SMN1; SMN2BRD4CA1CA2MAOA
SCHEMBL23604899 0.66 TBXAS1 (0.42) KDM4EKMT2AMEN1TBXAS1
SCHEMBL17531507 0.66 KMT2A (0.37) SMN1; SMN2MTNR1BMTNR1AKMT2AMEN1

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-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 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-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 SMN1; SMN2 106/4885KDM4E 1575/4885MTNR1B 209/4885

“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.