SCHEMBL1656552

SCHEMBL1656552

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
STS P08842 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
ABCC4 O15439 1/20 0.36
ESR1 P03372 7/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
ATM Q13315 2/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1659344 0.91 HSD11B1 (0.51) HSD11B1STSHRH3ABCC4ESR1
SCHEMBL5273029 0.89 HSD11B1 (0.55) HSD11B1STSHRH3ABCC4ESR1
SCHEMBL13216959 0.79 STS (0.51) HSD11B1STSHRH3ESR1SMN1; SMN2
SCHEMBL1657796 0.79 HSD11B1 (0.49) HSD11B1STSHRH3ABCC4ESR1
SCHEMBL13216951 0.79 HSD11B1 (0.52) HSD11B1STSHRH3ABCC4ESR1
SCHEMBL8081744 0.79 HSD11B1 (0.52) HSD11B1STSHRH3ABCC4ESR1
SCHEMBL5270945 0.79 STS (0.38) HSD11B1STSHRH3ESR1LMNA
SCHEMBL8089481 0.78 HSD11B1 (0.52) HSD11B1STSHRH3ABCC4ESR1
SCHEMBL1659341 0.76 HSD11B1 (0.50) HSD11B1STSHRH3ABCC4ESR1
SCHEMBL12968193 0.76 HSD11B1 (0.50) HSD11B1STSHRH3ABCC4ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305694-A2 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use SRI International (US) 2011-04-06 EP disclosed
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
EP-1310509-A2 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use Sri International (US) 2003-05-14 EP 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

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 24/4885STS 597/4885HRH3 2058/4885
US-20030153543-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA HSD11B1 22/4885STS 559/4885HRH3 2248/4885
US-20020032180-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA HSD11B1 22/4885STS 559/4885HRH3 2248/4885

“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.