SCHEMBL4597742

SCHEMBL4597742

C=C1CCOc2c(F)cccc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
ADRA2A P08913 2/20 0.37
PGR P06401 1/20 0.32
PARP1 P09874 1/20 0.32
ACHE P22303 1/20 0.31
HTR7 P34969 1/20 0.30

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
SCHEMBL13278032 0.78 ADRA2A (0.36) ADRA2APARP1HTR7
SCHEMBL1265527 0.78 CYP19A1 (0.46) CYP19A1ADRA2APARP1
SCHEMBL1266361 0.77 LMNA (0.40) CYP19A1ADRA2APARP1
SCHEMBL30989926 0.77 LMNA (0.40) CYP19A1ADRA2APARP1
SCHEMBL25937578 0.77 LMNA (0.40) CYP19A1ADRA2APARP1
SCHEMBL1266362 0.77 LMNA (0.40) CYP19A1ADRA2APARP1
SCHEMBL12607167 0.74 CYP19A1 (0.37) CYP19A1ADRA2APGRPARP1
SCHEMBL20205644 0.74 CYP19A1 (0.37) CYP19A1ADRA2APGRPARP1ACHE
SCHEMBL1829390 0.73 CYP19A1 (0.39) CYP19A1ADRA2APGRPARP1
SCHEMBL1994297 0.73 CYP19A1 (0.39) CYP19A1ADRA2APGRPARP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786823-B1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-01-16 EP disclosed
EP-1786823-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-05-23 EP disclosed
US-20060167025-A1 Tricyclic amino alcohols, processes for synthesis of same and use of same as anti-inflammatory drugs SCHERING AG (DE) 2006-07-27 US disclosed
WO-2006066950-A2 TRICYCLIC AMINOALCOHOLS, METHODS FOR PRODUCING THE SAME AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
US-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2006-04-20 US disclosed
WO-2006027236-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-16 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-20060167025-A1 Tricyclic amino alcohols, processes for synthesis of same and use of same as anti-inflammatory drugs ALDH7A1, NOTUM, GOT2 CYP19A1 1890/4885ADRA2A 1503/4885PGR 4292/4885
US-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents PTGES, PTGS1, PTGES2 CYP19A1 406/4885ADRA2A 902/4885PGR 2586/4885

“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.