SCHEMBL17538296

SCHEMBL17538296

COc1cc2c(cc1OCc1ccncc1)CCC(C)C2C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.45
CYP19A1 P11511 3/20 0.43
CHEK1 O14757 2/20 0.42
PDE4D Q08499 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CHRNA7 P36544 1/20 0.41

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
SCHEMBL17538299 0.86 LMNA (0.47) CHEK1PDE4D
SCHEMBL17538297 0.82 SYK (0.48) CHEK1PDE4D
SCHEMBL16158416 0.81 CYP19A1 (0.46) PLK1CYP19A1CHEK1PDE4DCHRNA7
SCHEMBL16158418 0.80 HRH3 (0.49) CYP19A1MAOA
SCHEMBL19067937 0.80 PLK1 (0.40) PLK1CYP19A1CHEK1PDE4DKDM1A
SCHEMBL17531508 0.79 PDE4D (0.40) PLK1CYP19A1CHEK1PDE4D
SCHEMBL17538359 0.79 HCRTR2 (0.37) MAOA
SCHEMBL17538298 0.78 MAOA (0.36) MAOA
SCHEMBL17538361 0.76 FLT1 (0.40) MAOA
SCHEMBL4813423 0.72 CHEK1 (0.48) PLK1CYP19A1CHEK1PDE4D

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-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
US-9694005-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-04 US disclosed
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-02-11 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 (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-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 PLK1 2782/4885CYP19A1 47/4885CHEK1 2807/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 PLK1 2782/4885CYP19A1 47/4885CHEK1 2807/4885

“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.