SCHEMBL19366293

SCHEMBL19366293

CCC1CCc2cc(C#N)c(OC)cc2C1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
AR P10275 5/20 0.40
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
STAT6 P42226 2/20 0.34
NR2F2 P24468 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HIF1A Q16665 3/20 0.33
MAPK1 P28482 3/20 0.33
LMNA P02545 3/20 0.33
CYP3A4 P08684 2/20 0.33
USP2 O75604 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
MAPT P10636 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
SCHEMBL19067966 0.80 HTR2A (0.45) HTR2AARCA1CA2USP2
SCHEMBL17538345 0.73 HTR2A (0.48) HTR2AARCA1CA2USP2
SCHEMBL19366286 0.73 HTR2A (0.48) HTR2AARCA1CA2USP2
SCHEMBL19067937 0.71 PLK1 (0.40)
SCHEMBL29741291 0.69 HTR2A (0.50) HTR2AARKMT2AUSP2ABCB1
SCHEMBL19067934 0.69 HSD17B10 (0.44) MAPK1LMNAKDM4EALDH1A1
SCHEMBL19366291 0.68 MEN1 (0.33) NPC1RAB9ASTAT6NR2F2MEN1
SCHEMBL19067871 0.68 CYP1B1 (0.37)
SCHEMBL19067869 0.68 ADRA2A (0.34) ADRA2AADRA2CADRA1A
SCHEMBL2898321 0.66 HTR2A (0.41) HTR2AARHTR1ADRD2KCNH2

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 HTR2A 2253/4885AR 1/4885CA1 4054/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 HTR2A 2253/4885AR 1/4885CA1 4054/4885

“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.