Ethisterone

Ethisterone

SCHEMBL16691330

C#C[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 1.00
SHBG P04278 7/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
TSHR P16473 5/20 1.00
NR3C1 P04150 4/20 1.00
CYP2C19 P33261 4/20 1.00
PGR P06401 3/20 1.00
HIF1A Q16665 3/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
ESR1 P03372 2/20 1.00
THRB P10828 1/20 1.00
AR P10275 1/20 1.00
ALDH1A1 P00352 4/20 0.72
ADRA1A P35348 1/20 0.72
HTR2B P41595 1/20 0.72
BLM P54132 5/20 0.67
SERPINA6 P08185 4/20 0.67
MAPT P10636 3/20 0.67
ADORA3 P0DMS8 1/20 0.67

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
Ethisterone SCHEMBL7604035 1.00 LMNA (1.00) LMNASHBGSMN1; SMN2TSHRNR3C1
Ethisterone SCHEMBL606819 1.00 LMNA (1.00) LMNASHBGSMN1; SMN2TSHRNR3C1
Ethisterone SCHEMBL15581276 1.00 LMNA (1.00) LMNASHBGSMN1; SMN2TSHRNR3C1
Ethisterone SCHEMBL14433089 1.00 LMNA (1.00) LMNASHBGSMN1; SMN2TSHRNR3C1
Ethisterone SCHEMBL12417537 1.00 LMNA (1.00) LMNASHBGSMN1; SMN2TSHRNR3C1
Ethisterone SCHEMBL24475 1.00 LMNA (1.00) LMNASHBGSMN1; SMN2TSHRNR3C1
Ethisterone SCHEMBL16864523 1.00 LMNA (1.00) LMNASHBGSMN1; SMN2TSHRNR3C1
Ethisterone SCHEMBL780055 1.00 LMNA (1.00) LMNASHBGSMN1; SMN2TSHRNR3C1
Ethisterone SCHEMBL28541256 0.99 LMNA (0.98) LMNASHBGSMN1; SMN2TSHRNR3C1
Ethisterone SCHEMBL11152514 0.96 LMNA (0.92) LMNASHBGSMN1; SMN2TSHRNR3C1

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-20150126450-A1 MULTIVALENT PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING SAME NEW YORK UNIVERSITY 2015-05-07 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-20150126450-A1 MULTIVALENT PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING SAME AR, SHBG, KLK3 LMNA 3909/4885SHBG 2/4885SMN1; SMN2 3094/4885

“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.