SCHEMBL17538342

SCHEMBL17538342

CC1CCc2cc(OC(=O)n3ccnc3)ccc2C1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.40
ACHE P22303 7/20 0.38
CYP19A1 P11511 1/20 0.35
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
FAAH O00519 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP17A1 P05093 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ATM Q13315 1/20 0.33
PPARD Q03181 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
SCHEMBL17538307 0.88 ACHE (0.36) TBXAS1ACHECYP19A1FNTAFNTB
SCHEMBL17538347 0.81 SMN1; SMN2 (0.40) TBXAS1SMN1; SMN2
SCHEMBL19366289 0.79 HSD17B2 (0.36) TBXAS1ACHECYP19A1FNTAFNTB
SCHEMBL17531484 0.79 CYP24A1 (0.36) TBXAS1ACHECYP19A1FNTAFNTB
SCHEMBL17538358 0.75 HTT (0.39) CYP19A1SMN1; SMN2LMNAATMCYP3A4
SCHEMBL17538308 0.74 KMT2A (0.42) ACHESMN1; SMN2CYP17A1LMNAPPARD
SCHEMBL17538348 0.71 MAOA (0.36) CYP19A1SMN1; SMN2MAPT
SCHEMBL17538290 0.71 PDE3B (0.46) TBXAS1CYP19A1LMNAPGRCYP3A4
SCHEMBL19366287 0.71 SMN1; SMN2 (0.37) TBXAS1SMN1; SMN2
SCHEMBL16158429 0.70 CYP19A1 (0.40) ACHECYP19A1LMNAMAPT

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 TBXAS1 420/4885ACHE 4390/4885CYP19A1 47/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 TBXAS1 420/4885ACHE 4390/4885CYP19A1 47/4885

“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.