SCHEMBL5274231

SCHEMBL5274231

C[C@@H]1Cc2cc(OC3CCCCO3)ccc2[C@H]2CC[C@]3(C)/C(=C/COCCO)CC[C@H]3[C@H]12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
HRH3 Q9Y5N1 3/20 0.40
STS P08842 2/20 0.35
MAPT P10636 2/20 0.31
ESR1 P03372 2/20 0.31
LMNA P02545 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL12968193 0.91 HSD11B1 (0.50) HSD11B1HRH3STSMAPTESR1
SCHEMBL1659341 0.91 HSD11B1 (0.50) HSD11B1HRH3STSMAPTESR1
SCHEMBL5270661 0.86 HSD11B1 (0.51) HSD11B1HRH3STSMAPTESR1
SCHEMBL1657796 0.84 HSD11B1 (0.49) HSD11B1HRH3STSMAPTESR1
SCHEMBL8089481 0.82 HSD11B1 (0.52) HSD11B1HRH3STSMAPTESR1
SCHEMBL8081744 0.81 HSD11B1 (0.52) HSD11B1HRH3STSMAPTESR1
SCHEMBL13216951 0.81 HSD11B1 (0.52) HSD11B1HRH3STSMAPTESR1
SCHEMBL5273029 0.77 HSD11B1 (0.55) HSD11B1HRH3STSMAPTESR1
SCHEMBL12225837 0.75 HRH3 (0.50) HRH3ESR1NR3C1
SCHEMBL9945370 0.74 STS (0.40) HRH3STSMAPTESR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847548-A2 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use Sri International (US) 2007-10-24 EP disclosed
US-6747018-B2 TREATMENT OF ESTROGEN-DEPENDENT DISORDERS; PREFERRED COMPOUNDS HAVE 1,3,5-ESTRATRIENE NUCLEUS, AND ARE SUBSTITUTED AT C-17 OR C-11 WITH MOLECULAR MOIETY WHICH RENDERS COMPOUNDS EFFECTIVE TO BLOCK BINDING OF ESTROGEN TO ITS RECEPTOR SRI INTERNATIONAL 2004-06-08 US disclosed
US-20030153543-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use TANABE MASATO (US) 2003-08-14 US disclosed
US-6548491-B2 For therapy of conditions or diseases that are estrogen-dependent, i.e., are estrogen-induced or estrogen-stimulated SRI INTERNATIONAL 2003-04-15 US disclosed
US-6503896-B1 17-Desoxy-1,3,5-estratriene derivatives; postmenopause, osteoporosis, central nervous system disorders; anticarcinogenic and hypotensive agents SRI INTERNATIONAL 2003-01-07 US disclosed
US-6455517-B1 FOR THERAPY OF CONDITIONS OR DISEASES THAT ARE ESTROGEN-DEPENDENT, I.E., ARE ESTROGEN-INDUCED OR ESTROGEN-STIMULATED SRI INTERNATIONAL 2002-09-24 US disclosed
US-20020032180-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use TANABE MASATO (US) 2002-03-14 US disclosed
US-20020032181-A1 Anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use TANABE MASATO (US) 2002-03-14 US disclosed
US-6281205-B1 1,3,5(10)-ESTRATRIENE NUCLEUS, SUBSTITUTED AT THE C-17 POSITION WITH AN AMINE AND ETHER-CONTAINING GROUP SRI INTERNATIONAL 2001-08-28 US disclosed
US-6054446-A 17-SUBSTITUTED-17-DESOXY-1,3,5-ESTRATRIENES. SRI INTERNATIONAL (US) 2000-04-25 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 (3 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-20020032181-A1 Anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA HSD11B1 24/4885HRH3 2058/4885STS 597/4885
US-20030153543-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA HSD11B1 22/4885HRH3 2248/4885STS 559/4885
US-20020032180-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA HSD11B1 22/4885HRH3 2248/4885STS 559/4885

“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.