SCHEMBL1889441

SCHEMBL1889441

C[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CCC(=O)[C@@]1(C)C[C@@H]2F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
AKR1C3 P42330 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP19A1 P11511 9/20 0.48
HSD17B1 P14061 3/20 0.48
CYP3A4 P08684 3/20 0.48
ESR1 P03372 3/20 0.48
SHBG P04278 3/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
HIF1A Q16665 2/20 0.48
ESR2 Q92731 2/20 0.48
AKR1B10 O60218 1/20 0.48
PGR P06401 1/20 0.48
SERPINA6 P08185 1/20 0.48
STS P08842 1/20 0.48
AR P10275 1/20 0.48
MAPT P10636 1/20 0.48
AKR1B1 P15121 1/20 0.48

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
SCHEMBL13804515 1.00 HSD17B10 (0.50) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL9830530 0.88 HSD17B10 (0.51) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL5679460 0.84 AKR1C3 (0.58) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL6853827 0.82 ESR1 (0.49) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL13804527 0.81 HSD17B10 (0.69) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL4183897 0.81 HSD17B10 (0.69) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL9972605 0.81 ESR1 (0.50) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL13807784 0.81 ESR1 (0.50) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL3864635 0.81 ESR1 (0.50) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL6849270 0.81 ESR1 (0.50) HSD17B10AKR1C3TSHRMAPK1CYP19A1

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-20070298456-A1 Microbiological process for the production of 7-substitued 11-hydroxy steroids, 7,17-substituted 11-halogen steroids, and uses thereof ZORN LUDWIG 2007-12-27 US claimed
US-20050090477-A1 Microbiological process for the production of 7-substituted 11-hydroxy steroids, 7,17-substituted 11-halogen steroids that can be produced therefrom, their process for production and use as well as pharmaceutical prepartions that contain these compounds, as well as 7-substituted estra-1,3,5(10)-trienses that can be produced therefrom SCHERING AG (DE) 2005-04-28 US claimed
EP-1947107-B1 PROCESS FOR PRODUCTION OF STEROID COMPOUND STANFORD RES INST INT (US) 2012-10-17 EP disclosed
US-7935838-B2 Process for production of steroid compound SRI INTERNATIONAL (US) 2011-05-03 US disclosed
US-20090253922-A1 Process for Production of Steroid Compound TAIHO PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 US disclosed
EP-1947107-A1 PROCESS FOR PRODUCTION OF STEROID COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2008-07-23 EP disclosed
US-20070298456-A1 Microbiological process for the production of 7-substitued 11-hydroxy steroids, 7,17-substituted 11-halogen steroids, and uses thereof ZORN LUDWIG 2007-12-27 US disclosed
US-7262023-B2 Microbiological process for the production of 7-substituted 11-hydroxy steroids, 7,17-substituted 11-Halogen steroids and uses thereof BAYER SCHERING PHARMA AG (DE) 2007-08-28 US disclosed
US-20060270845-A1 16-Hydroxyestratrienes as selectively active estrogens BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-11-30 US disclosed
US-7109360-B1 16-hydroxyestratrienes as selectively active estrogens SCHERING AG (DE) 2006-09-19 US disclosed
EP-1144431-B1 16-HYDROXYESTRATRIENES AS SELECTIVE ESTROGENS SCHERING AG (DE) 2005-12-21 EP disclosed
EP-1580192-A2 16-Hydroxyestratrienes as selective estrogens Schering AG (DE) 2005-09-28 EP disclosed
US-20050090477-A1 Microbiological process for the production of 7-substituted 11-hydroxy steroids, 7,17-substituted 11-halogen steroids that can be produced therefrom, their process for production and use as well as pharmaceutical prepartions that contain these compounds, as well as 7-substituted estra-1,3,5(10)-trienses that can be produced therefrom SCHERING AG (DE) 2005-04-28 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 (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-20060270845-A1 16-Hydroxyestratrienes as selectively active estrogens ESR1, ESR2, ESRRA HSD17B10 140/4885AKR1C3 464/4885TSHR 1039/4885
US-20090253922-A1 Process for Production of Steroid Compound CYP11B2, CYP11B1, CYP21A2 HSD17B10 57/4885AKR1C3 61/4885TSHR 931/4885

“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.