SCHEMBL19366289

SCHEMBL19366289

CCC1CCc2cc(OC(=O)n3ccnc3)ccc2C1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.36
CYP24A1 Q07973 1/20 0.36
TBXAS1 P24557 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
SLC6A9 P48067 1/20 0.34
ACHE P22303 5/20 0.34
CYP19A1 P11511 1/20 0.33
FAAH O00519 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PPARD Q03181 3/20 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
SCHEMBL17531484 0.85 CYP24A1 (0.36) CYP24A1TBXAS1DPP4DPP8ACHE
SCHEMBL19366298 0.79 ALDH1A1 (0.36) CYP19A1
SCHEMBL17538342 0.79 TBXAS1 (0.40) TBXAS1ACHECYP19A1FAAHFNTA
SCHEMBL19366291 0.75 MEN1 (0.33)
SCHEMBL17531485 0.74 CYP19A1 (0.34) DPP4DPP8ACHECYP19A1
SCHEMBL19366472 0.72 HRH3 (0.45) CYP19A1
SCHEMBL19366374 0.69 CYP1A1 (0.51) PPARD
SCHEMBL19067870 0.69 CHRNB2 (0.43) HSD17B2SLC6A9
SCHEMBL19067961 0.69 ESR1 (0.47) CYP19A1
SCHEMBL19366288 0.69 HRH3 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-04-14 US disclosed
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 (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-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity AR, NR5A1, BRCA1 HSD17B2 15/4885CYP24A1 127/4885TBXAS1 420/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 HSD17B2 15/4885CYP24A1 127/4885TBXAS1 420/4885

“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.