SCHEMBL19366283

SCHEMBL19366283

CC1c2ccc(OCc3ccccn3)cc2CC[C@@H]1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
SYK P43405 8/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARA Q07869 1/20 0.42
MAOA P21397 1/20 0.41
ALOX5AP P20292 1/20 0.41
PARP10 Q53GL7 1/20 0.40
HPGD P15428 1/20 0.40
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40

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
SCHEMBL17538309 1.00 HRH3 (0.51) HRH3BRD4CREBBPSYKAURKB
SCHEMBL16158422 0.87 HRH3 (0.49) HRH3BRD4CREBBPSYKAURKB
SCHEMBL17538297 0.82 SYK (0.48) SYKAURKBINCENP
SCHEMBL16158418 0.80 HRH3 (0.49) HRH3BRD4CREBBPMAOA
SCHEMBL16158410 0.80 PPARA (0.39) HRH3PPARA
SCHEMBL17538294 0.79 CYP1A1 (0.56) HRH3BRD4CREBBPPPARAMAOA
SCHEMBL19366288 0.78 HRH3 (0.47) HRH3BRD4CREBBPSYKAURKB
SCHEMBL17538332 0.77 PPARD (0.38) HRH3PPARA
SCHEMBL17531486 0.77 HRH3 (0.46) HRH3BRD4CREBBPSYKAURKB
SCHEMBL9492132 0.75 HRH3 (0.47) HRH3KDM4EALDH1A1SMN1; SMN2ALOX5AP

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 HRH3 4174/4885BRD4 987/4885CREBBP 348/4885

“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.