SCHEMBL5077836

SCHEMBL5077836

OC(=S)CCCCC(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37

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
SCHEMBL11173955 0.82
SCHEMBL848884 0.74 TSHR (0.55)
SCHEMBL850125 0.74 TSHR (0.55)
SCHEMBL5247186 0.74 TSHR (0.55)
SCHEMBL5247491 0.74 TSHR (0.55)
SCHEMBL2026151 0.72 LMNA (0.38)
SCHEMBL7531974 0.71 CA1 (0.32) CA1CA2
SCHEMBL3319531 0.70 TET2 (0.41) CA1CA2
SCHEMBL28319606 0.70 ALDH1A1 (0.43) CA1CA2
SCHEMBL7712357 0.69 TSHR (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7321044-B2 Synthesis of oxygen-substituted benzocycloheptenes as valuable intermediate products for the production of tissue-selective estrogens SCHERING AKTIENGESELLSCHAFT (DE) 2008-01-22 US claimed
US-7321044-B2 Synthesis of oxygen-substituted benzocycloheptenes as valuable intermediate products for the production of tissue-selective estrogens SCHERING AKTIENGESELLSCHAFT (DE) 2008-01-22 US disclosed
US-7145015-B2 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain that latter as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2006-12-05 US disclosed
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
US-20050182081-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-18 US disclosed
US-6878750-B2 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2005-04-12 US disclosed
EP-1436254-A1 SYNTHESIS OF OXYGEN-SUBSTITUTED BENZOCYCLOHEPTENES, USED AS VALUABLE INTERMEDIATE PRODUCTS FOR PRODUCING TISSUE-SELECTIVE OESTROGENS Schering Aktiengesellschaft (DE) 2004-07-14 EP disclosed
US-20030162974-A1 Synthesis of oxygen-substituted benzocycloheptenes as valuable intermediate products for the production of tissue-selective estrogens SCHERING AG (DE) 2003-08-28 US disclosed
EP-1098874-B1 BENZOCYCLOHEPTENES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AG (DE) 2003-06-18 EP disclosed
WO-2003033461-A1 SYNTHESIS OF OXYGEN-SUBSTITUTED BENZOCYCLOHEPTENES, USED AS VALUABLE INTERMEDIATE PRODUCTS FOR PRODUCING TISSUE-SELECTIVE OESTROGENS SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-24 WO disclosed
EP-1098874-A1 BENZOCYCLOHEPTENES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR USE FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 2001-05-16 EP disclosed
US-6153768-A RECEPTOR BLOCKING ANTIESTROGENS HAVING REDUCED SIDE EFFECTS C & C RESEARCH LABORATORIES (KR) 2000-11-28 US disclosed
WO-2000003979-A1 BENZOCYCLOHEPTENES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-01-27 WO disclosed
US-5986115-A STEROIDS WITH FLUORO GROUPS AND ETHER OR ESTER GROUPS SCHERING AG (DE) 1999-11-16 US disclosed
EP-0944613-A1 NOVEL BENZOPYRAN DERIVATIVES C & C Research Laboratories (KR) 1999-09-29 EP disclosed
US-5866560-A ESTROGEN INHIBITORS; TUMOR THERAPY; HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 1999-02-02 US disclosed
US-5807899-A Triphenylethylenes, process for their production, pharmaceutical preparations that contain these triphenylethylenes as well as their use for the production of pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
WO-1998025916-A1 NOVEL BENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1998-06-18 WO disclosed
EP-0839130-A1 TRIPHENYL ETHYLENES WITH ANTI-OESTROGENIC PROPERTIES SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-06 EP disclosed
WO-1997003046-A1 TRIPHENYL ETHYLENES WITH ANTI-OESTROGENIC PROPERTIES SCHERING AKTIENGESELLSCHAFT (DE) 1997-01-30 WO 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-20050182081-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents CYP19A1, ESR2, ESRRA CA1 4402/4885CA2 4340/4885
US-20030162974-A1 Synthesis of oxygen-substituted benzocycloheptenes as valuable intermediate products for the production of tissue-selective estrogens CYP19A1, HSD17B11, SULT1E1 CA1 1482/4885CA2 2404/4885

“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.