SCHEMBL6364709

SCHEMBL6364709

C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)N5CCCC5)cc4CC[C@H]3[C@]13CC[C@]2(O)CC3

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STS P08842 13/20 0.46
ABCC4 O15439 3/20 0.46
ABCC1 P33527 2/20 0.46
CYP2C9 P11712 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
KDM4E B2RXH2 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ESR1 P03372 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
ESR2 Q92731 1/20 0.43
CYP3A4 P08684 1/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B1 P14061 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6364711 1.00 STS (0.46) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL8206494 0.83 STS (0.48) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL8206491 0.83 STS (0.48) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL9627672 0.82 LMNA (0.55) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL8938753 0.80 LMNA (0.51) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL9628223 0.80 LMNA (0.57) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL9627648 0.78 MAPT (0.59) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL514373 0.77 ESR1 (0.53) STSCYP2C9ESR1ESR2CYP3A4
SCHEMBL29500480 0.77 ESR1 (0.53) STSCYP2C9ESR1ESR2CYP3A4
SCHEMBL8959369 0.77 ESR1 (0.53) STSCYP2C9ESR1ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020061868-A1 Pharmaceutical preparations containing estra-1,3,5(10)-triene derivatives STERIX LIMITED (GB) 2002-05-23 US claimed
US-6841548-B2 Pharmaceutical preparations containing estra-1,3,5(10)-triene derivatives SCHERING AG (DE) 2005-01-11 US disclosed
US-6569844-B1 Hormonal contraception and hormon replacement therapy with low hepatic estrogenity JENAPHARM GMBH & CO., KG (DE) 2003-05-27 US disclosed
US-20020061868-A1 Pharmaceutical preparations containing estra-1,3,5(10)-triene derivatives STERIX LIMITED (GB) 2002-05-23 US disclosed
US-6080735-A SUITABLE FOR HORMONAL CONTRACEPTION AND CLIMACTERIC HORMONE REPLACEMENT THERAPY (HRT) AS WELL AS FOR TREATMENT OF GYNECOLOGICAL AND ANDROLOGICAL DISEASES JENAPHARM GMBH & CO. KG (DE) 2000-06-27 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-20020061868-A1 Pharmaceutical preparations containing estra-1,3,5(10)-triene derivatives ESRRA, ESR2, CYP19A1 STS 124/4885ABCC4 2078/4885ABCC1 819/4885

“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.