SCHEMBL1978822

SCHEMBL1978822

C=C1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.72
ESR1 P03372 8/20 0.67
ESR2 Q92731 6/20 0.67
LMNA P02545 5/20 0.67
HSD17B10 Q99714 4/20 0.67
SHBG P04278 4/20 0.67
HIF1A Q16665 3/20 0.67
PGR P06401 3/20 0.67
SERPINA6 P08185 3/20 0.67
AR P10275 3/20 0.67
SLC6A4 P31645 3/20 0.67
SNCA P37840 3/20 0.67
SLC6A3 Q01959 3/20 0.67
STS P08842 3/20 0.67
CYP3A4 P08684 3/20 0.67
TSHR P16473 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
NR3C1 P04150 2/20 0.67
CYP1A2 P05177 2/20 0.67

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
SCHEMBL1978824 1.00 CYP2D6 (0.72) CYP2D6ESR1ESR2LMNAHSD17B10
SCHEMBL928512 0.86 CYP2D6 (0.72) CYP2D6ESR1ESR2LMNAHSD17B10
SCHEMBL7993008 0.86 CYP2D6 (0.72) CYP2D6ESR1ESR2LMNAHSD17B10
SCHEMBL13123065 0.86 CYP2D6 (0.72) CYP2D6ESR1ESR2LMNAHSD17B10
SCHEMBL3664511 0.86 CYP2D6 (0.54) CYP2D6ESR1ESR2LMNAHSD17B10
SCHEMBL12418986 0.83 HSD17B1 (0.68) CYP2D6ESR1ESR2LMNAHSD17B10
SCHEMBL2289060 0.81 HSD17B1 (0.69) CYP2D6ESR1ESR2LMNAHSD17B10
SCHEMBL12379628 0.81 HSD17B1 (0.69) CYP2D6ESR1ESR2LMNAHSD17B10
SCHEMBL2289611 0.81 HSD17B1 (0.69) CYP2D6ESR1ESR2LMNAHSD17B10
SCHEMBL5675177 0.81 ESR1 (0.64) CYP2D6ESR1ESR2LMNAHSD17B10

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040223983-A1 Pharmaceutical preparations, use of these preparations and process for increasing the biovailability of pharmaceutical substances to be administered perorally BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-11-11 US claimed
US-8003783-B2 Steroid 17 beta -hydroxysteroid dehydrogenase inhibitors substituted with one or more oxime groups, especially aromatase inhibitors used in the treatment of endocrine-dependent tumors, especially breast cancer STERIX LIMITED (GB) 2011-08-23 US disclosed
EP-2336146-A1 17beta-hydroxysteroid dehydrogenase inhibitors Sterix Limited (GB) 2011-06-22 EP disclosed
US-7732493-B2 2-substituted D-homo-estra-1,3,5(10)-trienes as inhibitors of 17β-hydroxy steroid dehydrogenase type 1 BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-08 US disclosed
EP-1763534-B1 NOVEL 2-SUBSTITUTED D-HOMO-ESTRA-1,3,5(10)-TRIENES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BAYER SCHERING PHARMA AG (DE) 2010-02-24 EP disclosed
US-20080306164-A1 NEW 2-SUBSTITUTED D-HOMO-ESTRA-1,3,5(10)-TRIENES AS INHIBITORS OF 17BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HILLISCH ALEXANDER 2008-12-11 US disclosed
US-7435757-B2 2-substituted D-homo-estra-1,3,5(10)-trienes as inhibitors of 17β-hydroxy steroid dehydrogenase type 1 SCHERING AG (DE) 2008-10-14 US disclosed
US-7419972-B2 2-substituted estra-1,3,5(10)-trien-17-ones as inhibitors of 17β-hydroxy steroid dehydrogenase type 1 SCHERING AG (DE) 2008-09-02 US disclosed
EP-1771461-A2 NOVEL 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIEN-17-ONES USED IN THE FORM OF INHIBITORS OF 17BETA-HYDROXYSTEROIDDEHYDROGENASE OF TYPE 1 Bayer Schering Pharma Aktiengesellschaft (DE) 2007-04-11 EP disclosed
US-20070078114-A1 COMBINATION THERAPY FOR ALZHEIMER'S DISEASE AND OTHER DISEASES MYRIAD GENETICS, INCORPORATED (US) 2007-04-05 US disclosed
US-5550107-A Combination therapy for the treatment of estrogen-sensitive disease ENDORECHERCHE INC. (CA) 1996-08-27 US disclosed
EP-0462189-B1 COMBINATION THERAPY FOR TREATMENT OF ESTROGEN SENSITIVE DISEASES ENDORECHERCHE INC (CA) 1995-09-27 EP disclosed
US-5395842-A Inhibitors of sex steroids ENDORECHERCHE INC. (CA) 1995-03-07 US disclosed
US-5364847-A Inhibitors of sex steroid biosynthesis and methods for their production and use ENDORECHERCHE (CA) 1994-11-15 US disclosed
EP-0615448-A1 SEX STEROID ACTIVITY INHIBITORS ENDORECHERCHE INC. (CA) 1994-09-21 EP disclosed
WO-1993010741-A2 SEX STEROID ACTIVITY INHIBITORS ENDORECHERCHE INC. (CA) 1993-06-10 WO disclosed
US-5204337-A Estrogen nucleus derivatives for use in inhibition of sex steroid activity ENDORECHERCHE INC. (CA) 1993-04-20 US disclosed
EP-0462189-A1 COMBINATION THERAPY FOR TREATMENT OF ESTROGEN SENSITIVE DISEASES. ENDORECHERCHE INC (CA) 1991-12-27 EP disclosed
WO-1990010462-A1 COMBINATION THERAPY FOR TREATMENT OF ESTROGEN SENSITIVE DISEASES ENDORECHERCHE INC. (CA) 1990-09-20 WO disclosed
EP-0367576-A2 Estrogen nucleus derivatives for use in the inhibition of sex steroid activity ENDORECHERCHE INC. (CA) 1990-05-09 EP 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 (2 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-20070078114-A1 COMBINATION THERAPY FOR ALZHEIMER'S DISEASE AND OTHER DISEASES PSEN2, APP, PSEN1 CYP2D6 3900/4885ESR1 208/4885ESR2 46/4885
US-20080306164-A1 NEW 2-SUBSTITUTED D-HOMO-ESTRA-1,3,5(10)-TRIENES AS INHIBITORS OF 17BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD17B11, HSD17B1, CYP19A1 CYP2D6 80/4885ESR1 43/4885ESR2 69/4885

“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.