SCHEMBL1659333

SCHEMBL1659333

CCN(CC)CCOC/C(C)=C1/CC[C@H]2[C@@H]3CCc4cc(OC5CCCCO5)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.59
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
HSD17B1 P14061 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
STS P08842 4/20 0.41
CYP2C9 P11712 2/20 0.41
ABCC4 O15439 1/20 0.41
ABCC1 P33527 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
HRH3 Q9Y5N1 5/20 0.40
ESR1 P03372 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 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
SCHEMBL1657464 1.00 HSD11B1 (0.59) HSD11B1ALDH1A1KDM4EMAPTLMNA
SCHEMBL1657336 0.85 HSD11B1 (0.67) HSD11B1ALDH1A1KDM4EMAPTLMNA
SCHEMBL5269563 0.83 ESR1 (0.54) ALDH1A1MAPTLMNAHSD17B1RECQL
SCHEMBL1657689 0.83 ESR1 (0.54) ALDH1A1MAPTLMNAHSD17B1RECQL
SCHEMBL7830895 0.83 HSD11B1 (0.69) HSD11B1ALDH1A1KDM4EMAPTLMNA
SCHEMBL7827752 0.83 HSD11B1 (0.69) HSD11B1ALDH1A1KDM4EMAPTLMNA
SCHEMBL1657830 0.77 HSD11B1 (0.69) HSD11B1ALDH1A1KDM4EMAPTLMNA
SCHEMBL7830892 0.77 HSD11B1 (0.69) HSD11B1ALDH1A1KDM4EMAPTLMNA
SCHEMBL5986176 0.76 HSD11B1 (0.72) HSD11B1ALDH1A1KDM4EMAPTLMNA
SCHEMBL9644320 0.75 HSD11B1 (0.66) HSD11B1ALDH1A1KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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 24/4885ALDH1A1 2009/4885KDM4E 2306/4885
US-20030153543-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA HSD11B1 22/4885ALDH1A1 2206/4885KDM4E 2311/4885
US-20020032180-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA HSD11B1 22/4885ALDH1A1 2206/4885KDM4E 2311/4885

“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.