SCHEMBL19366294

SCHEMBL19366294

CCOC(=O)c1cc2c(cc1OC)C(C(C)(C)C)C(CC)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
KCNK3 O14649 1/20 0.39
NQO2 P16083 2/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
LMNA P02545 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
DPP4 P27487 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
SLC18A2 Q05940 2/20 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
SCHEMBL17531503 0.84 KMT2A (0.40) KMT2AKCNK3NQO2MTNR1AMTNR1B
SCHEMBL17538346 0.80 KMT2A (0.44) KMT2AKCNK3NQO2MTNR1AMTNR1B
SCHEMBL19366293 0.74 HTR2A (0.45) KMT2ALMNAALDH1A1MAPTDPP4
SCHEMBL19067870 0.73 CHRNB2 (0.43) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL17531498 0.72 NQO2 (0.38) KMT2ANQO2MTNR1AMTNR1BLMNA
SCHEMBL17531500 0.72 KDM4E (0.40) NQO2MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL2900687 0.71 KMT2A (0.65) KMT2AKCNK3LMNAALDH1A1GAA
SCHEMBL19067937 0.70 PLK1 (0.40)
SCHEMBL19366291 0.69 MEN1 (0.33) KMT2ANQO2MTNR1AMTNR1BLMNA
SCHEMBL19361285 0.68 KDM4E (0.40) NQO2MTNR1AMTNR1BALDH1A1SLC18A2

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 KMT2A 3574/4885KCNK3 3087/4885NQO2 4791/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 KMT2A 3574/4885KCNK3 3087/4885NQO2 4791/4885

“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.