SCHEMBL19366288

SCHEMBL19366288

CCC1CCc2cc(OCc3ccccn3)ccc2C1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
PPARA Q07869 1/20 0.40
SYK P43405 6/20 0.40
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
ALOX5AP P20292 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MAOA P21397 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL17531486 0.84 HRH3 (0.46) HRH3PPARASYKAURKBINCENP
SCHEMBL19366472 0.83 HRH3 (0.45) HRH3BRD4CREBBPGPR84
SCHEMBL19366374 0.81 CYP1A1 (0.51) HRH3PPARABRD4CREBBPGPR84
SCHEMBL16158422 0.79 HRH3 (0.49) HRH3PPARASYKAURKBINCENP
SCHEMBL19366283 0.78 HRH3 (0.51) HRH3PPARASYKAURKBINCENP
SCHEMBL17538309 0.78 HRH3 (0.51) HRH3PPARASYKAURKBINCENP
SCHEMBL19366298 0.75 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2
SCHEMBL19067961 0.72 ESR1 (0.47)
SCHEMBL8030865 0.71 HRH3 (0.40) HRH3PPARASYKAURKBINCENP
SCHEMBL8030869 0.71 HRH3 (0.40) HRH3PPARASYKAURKBINCENP

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 HRH3 4174/4885PPARA 82/4885SYK 4885/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 HRH3 4174/4885PPARA 82/4885SYK 4885/4885

“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.