SCHEMBL14860281

SCHEMBL14860281

CC1(C)CC[C@H](C#N)C2CC(=O)CCC21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
OR51E2 Q9H255 1/20 0.35
SHBG P04278 5/20 0.33
SRD5A2 P31213 2/20 0.33
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
SERPINA6 P08185 1/20 0.31
NR3C2 P08235 1/20 0.31
CYP3A4 P08684 1/20 0.31
AR P10275 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP17A1 P05093 1/20 0.30

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
SCHEMBL9767861 0.76 SHBG (0.39) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL18740940 0.72 SHBG (0.41) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL9314092 0.71 CYP19A1 (0.38) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL18741025 0.68 SHBG (0.38) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL22361322 0.67
SCHEMBL4668349 0.66 SHBG (0.30) SHBG
SCHEMBL22443364 0.66 SHBG (0.39) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL22443225 0.66 SHBG (0.39) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL4660773 0.65 CYP19A1 (0.60) CYP19A1AKR1B10AKR1B1OR51E2SHBG
SCHEMBL4474891 0.65 KDM4E (0.31) CYP19A1AKR1B10AKR1B1OR51E2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658806-B2 Process for preparing optically active antrocin DEYEW BIOTECH CORP. (TW) 2014-02-25 US disclosed
US-8658806-B2 Process for preparing optically active antrocin DEYEW BIOTECH CORP. (TW) 2014-02-25 US disclosed
US-8658806-B2 Process for preparing optically active antrocin DEYEW BIOTECH CORP. (TW) 2014-02-25 US disclosed
US-20130096324-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE ANTROCIN DEYEW BIOTECH CORP. (TW) 2013-04-18 US disclosed
US-20130096324-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE ANTROCIN DEYEW BIOTECH CORP. (TW) 2013-04-18 US disclosed
US-20130096324-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE ANTROCIN DEYEW BIOTECH CORP. (TW) 2013-04-18 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-20130096324-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE ANTROCIN KTN1, TMSB10, TSN CYP19A1 473/4885AKR1B10 50/4885AKR1B1 114/4885

“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.