SCHEMBL5075102

SCHEMBL5075102

Oc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(OCCCCCCl)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.75
ESR2 Q92731 2/20 0.50
EBP Q15125 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL5852716 1.00 ESR1 (0.75) ESR1ESR2EBPSIGMAR1
SCHEMBL5851575 0.99 ESR1 (0.77) ESR1ESR2EBPSIGMAR1
SCHEMBL5851524 0.95 ESR1 (0.77) ESR1ESR2EBPSIGMAR1
SCHEMBL5851829 0.92 ESR1 (0.72) ESR1ESR2EBPSIGMAR1
SCHEMBL5852061 0.92 ESR1 (0.72) ESR1ESR2EBPSIGMAR1
SCHEMBL5851677 0.91 ESR1 (0.74) ESR1ESR2EBPSIGMAR1
SCHEMBL5852820 0.90 ESR1 (0.70) ESR1ESR2EBPSIGMAR1
SCHEMBL5851569 0.88 ESR1 (0.77) ESR1ESR2EBPSIGMAR1
SCHEMBL5078326 0.87 ESR1 (0.69) ESR1ESR2EBPSIGMAR1
SCHEMBL5851849 0.87 ESR1 (0.55) ESR1ESR2EBPSIGMAR1

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 15 patents. 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 disclosed
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-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-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
US-20030050324-A1 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) 2003-03-13 US disclosed
US-6495607-B2 8,9-DIHYDRO-7H-BENZOCYCLOHEPTENE DERIVATIVES ARE USEFUL FOR PHOPHYLAXIS AND THERAPY OF OSTEOPOROSIS(HAVE SELECTIVE ESTROGENIC ACTIVITY ON BONES) SCHERING AG (DE) 2002-12-17 US disclosed
US-20020068765-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) 2002-06-06 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20020068765-A1 BENZOCYCLOHEPTENES, PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS THAT CONTAIN THE LATTER AS WELL AS THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS CYP19A1, ESRRA, SULT2A1 ESR1 36/4885ESR2 5/4885EBP 92/4885
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 ESR1 8/4885ESR2 2/4885EBP 62/4885
US-20030162974-A1 Synthesis of oxygen-substituted benzocycloheptenes as valuable intermediate products for the production of tissue-selective estrogens CYP19A1, HSD17B11, SULT1E1 ESR1 6/4885ESR2 9/4885EBP 145/4885
US-20030050324-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents CYP19A1, ESRRA, SULT2A1 ESR1 36/4885ESR2 5/4885EBP 92/4885

“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.