SCHEMBL21792306

SCHEMBL21792306

COC(=O)c1ccc2c(c1)CCN2C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.52
SRD5A2 P31213 3/20 0.52
TP53 P04637 1/20 0.50
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ACACB O00763 1/20 0.44

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
SCHEMBL17806325 0.89 KDM4E (0.49) SRD5A1SRD5A2TP53PDK1PDK2
SCHEMBL20173807 0.85 SRD5A1 (0.56) SRD5A1SRD5A2TP53KDM4ENPC1
SCHEMBL25873261 0.84 TP53 (0.46) TP53NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL20173808 0.84 RARA (0.47) TP53PDK1PDK2PDK3PDK4
SCHEMBL23054219 0.83 MEN1 (0.45) TP53KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL21792031 0.81 KDM4E (0.56) SRD5A1SRD5A2TP53PDK1PDK2
SCHEMBL12900265 0.79 SRD5A1 (0.54) SRD5A1SRD5A2TP53PDK1PDK2
SCHEMBL21776847 0.78 NOTUM (0.65) SRD5A1SRD5A2TP53PDK1PDK2
SCHEMBL5682339 0.78 SRD5A1 (0.56) SRD5A1SRD5A2TP53PDK1PDK2
SCHEMBL20173809 0.78 SRD5A1 (0.54) SRD5A1SRD5A2TP53KDM4ENPC1

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-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO 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-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT SRD5A1 736/4885SRD5A2 939/4885TP53 2255/4885

“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.