SCHEMBL1657382

SCHEMBL1657382

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.53
ESR2 Q92731 8/20 0.53
HSD17B10 Q99714 4/20 0.53
LMNA P02545 4/20 0.53
HSD17B1 P14061 3/20 0.53
STS P08842 3/20 0.53
CYP3A4 P08684 3/20 0.53
MAPT P10636 3/20 0.53
SHBG P04278 3/20 0.53
PGR P06401 3/20 0.53
SERPINA6 P08185 3/20 0.53
AR P10275 3/20 0.53
SLC6A4 P31645 3/20 0.53
SNCA P37840 3/20 0.53
SLC6A3 Q01959 3/20 0.53
HIF1A Q16665 3/20 0.53
AKR1B10 O60218 2/20 0.53
CYP1A2 P05177 2/20 0.53
AKR1B1 P15121 2/20 0.53
HTR2B P41595 2/20 0.53

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
SCHEMBL1656715 0.91 ESR1 (0.55) ESR1ESR2HSD17B10LMNAHSD17B1
SCHEMBL1657153 0.91 ESR1 (0.55) ESR1ESR2HSD17B10LMNAHSD17B1
SCHEMBL729917 0.91 ESR1 (0.55) ESR1ESR2HSD17B10LMNAHSD17B1
SCHEMBL12792449 0.91 ESR1 (0.55) ESR1ESR2HSD17B10LMNAHSD17B1
SCHEMBL12958844 0.91 ESR1 (0.55) ESR1ESR2HSD17B10LMNAHSD17B1
SCHEMBL5269888 0.89 ESR1 (0.53) ESR1ESR2HSD17B10LMNAHSD17B1
SCHEMBL1657747 0.88 ESR1 (0.54) ESR1ESR2HSD17B10LMNAHSD17B1
SCHEMBL1659653 0.85 STS (0.49) ESR1ESR2HSD17B10LMNAHSD17B1
SCHEMBL11781483 0.84 ESR1 (0.67) ESR1ESR2HSD17B10LMNAHSD17B1
SCHEMBL11781477 0.84 ESR1 (0.67) ESR1ESR2HSD17B10LMNAHSD17B1

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
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
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 ESR1 6/4885ESR2 2/4885HSD17B10 68/4885
US-20030153543-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA ESR1 5/4885ESR2 2/4885HSD17B10 63/4885
US-20020032180-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA ESR1 5/4885ESR2 2/4885HSD17B10 63/4885

“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.