SCHEMBL3112585

SCHEMBL3112585

C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](O)C[C@@H](O)[C@]3(C)[C@H]1CC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.45
ESR2 Q92731 5/20 0.45
AR P10275 4/20 0.45
SHBG P04278 3/20 0.45
SERPINA6 P08185 2/20 0.45
G6PD P11413 2/20 0.44
CYP17A1 P05093 2/20 0.43
TBXAS1 P24557 1/20 0.43
SRD5A2 P31213 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GUSB P08236 1/20 0.43
CYP3A4 P08684 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
TSHR P16473 1/20 0.43
NR1I3 Q14994 1/20 0.42

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
SCHEMBL4152712 1.00 ESR1 (0.45) ESR1ESR2ARSHBGSERPINA6
SCHEMBL3112594 1.00 ESR1 (0.45) ESR1ESR2ARSHBGSERPINA6
SCHEMBL6899626 0.89 SHBG (0.44) ESR1ESR2ARSHBGSERPINA6
SCHEMBL9853326 0.84 SHBG (0.41) ESR1ESR2ARSHBGSERPINA6
SCHEMBL7259576 0.84 SHBG (0.41) ESR1ESR2ARSHBGSERPINA6
SCHEMBL8707384 0.82 TDP1 (0.49) ARCYP17A1SRD5A2MEN1CYP3A4
SCHEMBL9939636 0.82 CYP19A1 (0.46) ESR1ESR2ARSHBGSERPINA6
SCHEMBL15904745 0.81 ABCC4 (0.50) TSHR
SCHEMBL9163829 0.81 ESR2 (0.69) ESR1ESR2ARSHBGSERPINA6
SCHEMBL9163839 0.81 ESR2 (0.69) ESR1ESR2ARSHBGSERPINA6

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-20100022494-A1 Method, device, and kit for maintaining physiological levels of steroid hormone in a subject SEARETE LLC, A LIMITED LIABILITY CORPORATION OF THE STATE OF DELAWARE 2010-01-28 US disclosed
US-20090137541-A1 Novel Series of Imidazolyl Substituted Steroidal and Indan-1-One Derivatives COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2009-05-28 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-20090137541-A1 Novel Series of Imidazolyl Substituted Steroidal and Indan-1-One Derivatives NR5A1, NR3C2, CYP17A1 ESR1 188/4885ESR2 101/4885AR 24/4885

“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.