SCHEMBL6842205

SCHEMBL6842205

CC[C@@]1(C)C[C@H]2[C@@H]3CCc4cc(C#N)ccc4[C@H]3CC[C@]2(C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.49
SHBG P04278 4/20 0.46
STS P08842 6/20 0.45
ABCB11 O95342 3/20 0.44
HSD17B1 P14061 3/20 0.42
ESR1 P03372 8/20 0.42
ESR2 Q92731 5/20 0.40
HSD17B10 Q99714 4/20 0.40
LMNA P02545 3/20 0.40
PGR P06401 3/20 0.40
CYP3A4 P08684 3/20 0.40
AR P10275 3/20 0.40
SLC6A4 P31645 3/20 0.40
HTR2B P41595 3/20 0.40
SLC6A3 Q01959 3/20 0.40
AKR1B10 O60218 2/20 0.40
CYP1A2 P05177 2/20 0.40
SERPINA6 P08185 2/20 0.40
MAPT P10636 2/20 0.40
AKR1B1 P15121 2/20 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
SCHEMBL17525944 0.80 SHBG (0.70) AKR1C3SHBGSTSABCB11HSD17B1
SCHEMBL15973296 0.75 STS (0.71) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL13951936 0.75 STS (0.71) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL15973298 0.75 AKR1C3 (0.53) AKR1C3SHBGSTSABCB11HSD17B1
SCHEMBL14048667 0.74 HSD17B10 (0.73) SHBGSTSABCB11ESR1ESR2
SCHEMBL14048666 0.72 LMNA (0.56) AKR1C3SHBGSTSABCB11ESR1
SCHEMBL20006619 0.70 AKR1C3 (0.56) AKR1C3SHBGSTSABCB11HSD17B1
SCHEMBL6258256 0.69 ESR1 (0.66) SHBGSTSABCB11HSD17B1ESR1
SCHEMBL6260538 0.69 ESR1 (0.66) SHBGSTSABCB11HSD17B1ESR1
SCHEMBL20006567 0.69 CYP17A1 (0.60) AKR1C3ESR1

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-20040224935-A1 Topical antiandrogenic steroids ENDORECHERCHE, INC. 2004-11-11 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-20040224935-A1 Topical antiandrogenic steroids CYP17A1, SRD5A1, SRD5A2 AKR1C3 52/4885SHBG 20/4885STS 55/4885

“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.