SCHEMBL5682603

SCHEMBL5682603

C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1C[C@H](O)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.48
AKR1C3 P42330 3/20 0.47
ESR1 P03372 5/20 0.46
ESR2 Q92731 4/20 0.46
LMNA P02545 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 2/20 0.46
NR3C1 P04150 2/20 0.46
PGR P06401 2/20 0.46
SERPINA6 P08185 2/20 0.46
AR P10275 2/20 0.46
SLC6A4 P31645 2/20 0.46
SNCA P37840 2/20 0.46
SLC6A3 Q01959 2/20 0.46
PTGS1 P23219 1/20 0.46
OR51E2 Q9H255 1/20 0.46
UGT1A10 Q9HAW8 1/20 0.46
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 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
SCHEMBL5682532 1.00 SHBG (0.48) SHBGAKR1C3ESR1ESR2LMNA
SCHEMBL8518161 1.00 SHBG (0.48) SHBGAKR1C3ESR1ESR2LMNA
SCHEMBL5681898 0.85 SHBG (0.68) SHBGESR1ESR2LMNACYP2C9
SCHEMBL5678022 0.85 SHBG (0.68) SHBGESR1ESR2LMNACYP2C9
SCHEMBL6258554 0.85 SHBG (0.68) SHBGESR1ESR2LMNACYP2C9
SCHEMBL6255675 0.85 SHBG (0.68) SHBGESR1ESR2LMNACYP2C9
SCHEMBL4593726 0.85 SHBG (0.68) SHBGESR1ESR2LMNACYP2C9
SCHEMBL3357076 0.85 SHBG (0.68) SHBGESR1ESR2LMNACYP2C9
SCHEMBL6256154 0.85 SHBG (0.68) SHBGESR1ESR2LMNACYP2C9
SCHEMBL14116626 0.85 SHBG (0.68) SHBGESR1ESR2LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2625190-B1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION UNIV JUSTUS LIEBIG GIESSEN (DE) 2021-07-14 EP disclosed
US-9382288-B2 Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2016-07-05 US disclosed
US-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2013-10-10 US disclosed
US-20060270845-A1 16-Hydroxyestratrienes as selectively active estrogens BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-11-30 US disclosed
US-7109360-B1 16-hydroxyestratrienes as selectively active estrogens SCHERING AG (DE) 2006-09-19 US disclosed
EP-1144431-B1 16-HYDROXYESTRATRIENES AS SELECTIVE ESTROGENS SCHERING AG (DE) 2005-12-21 EP disclosed
EP-1580192-A2 16-Hydroxyestratrienes as selective estrogens Schering AG (DE) 2005-09-28 EP 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 (2 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-20060270845-A1 16-Hydroxyestratrienes as selectively active estrogens ESR1, ESR2, ESRRA SHBG 7/4885AKR1C3 464/4885ESR1 1/4885
US-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION HSD17B7, CYP21A2, CYP17A1 SHBG 13/4885AKR1C3 185/4885ESR1 2570/4885

“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.