SCHEMBL13804528

SCHEMBL13804528

CC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CCC4C3CC[C@@]21C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.71
▸ LMNA P02545 2/20 0.71
▸ SERPINA6 P08185 2/20 0.71
▸ ALDH1A1 P00352 2/20 0.68
▸ SLC22A1 O15245 1/20 0.68
▸ SHBG P04278 1/20 0.68
▸ THRB P10828 1/20 0.68
▸ MCL1 Q07820 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ CYP19A1 P11511 2/20 0.56
▸ PGR P06401 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ NR3C1 P04150 1/20 0.56
▸ CHRM2 P08172 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56

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
SCHEMBL17302789 1.00 MAPT (0.71) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL13177160 1.00 MAPT (0.71) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL2930366 1.00 MAPT (0.71) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL3458086 0.91 MAPT (0.71) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL24103254 0.90 MAPT (0.69) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL9473555 0.90 MAPT (0.69) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL6445859 0.90 MAPT (0.69) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL24103304 0.90 MAPT (0.69) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL21067996 0.89 MAPT (0.84) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL343128 0.88 MAPT (0.79) MAPTLMNASERPINA6ALDH1A1SLC22A1

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-2054540-B1 TAGGING REAGENTS AND METHODS FOR HYDROXYLATED COMPOUNDS DH TECHNOLOGIES DEV PTE LTD (SG) 2014-11-26 — — EP disclosed
WO-2009074313-A1 METHOD FOR THE AROMATIZATION OF 19-NOR-ANDROST-4-EN-3-ONES INTO ESTRA-1,3,5(10)-TRIENES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 — — WO disclosed
US-20090156843-A1 PROCESS FOR AROMATIZING 19-NORANDROST-4-EN-3-ONES TO ESTRA-1,3,5(10)-TRIENES BAYER SCHERING PHARMA AG (DE) 2009-06-18 — — US disclosed
US-20090156843-A1 PROCESS FOR AROMATIZING 19-NORANDROST-4-EN-3-ONES TO ESTRA-1,3,5(10)-TRIENES BAYER SCHERING PHARMA AG (DE) 2009-06-18 — — US disclosed
EP-2070942-A1 Method for aromatising 19-nor-androst-4-en-3-ones to estra-1,3,5(10)-trienes Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 — — EP disclosed
EP-1918295-A2 Process and Intermediates AstraZeneca AB (SE) 2008-05-07 — — 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 (1 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-20090156843-A1 PROCESS FOR AROMATIZING 19-NORANDROST-4-EN-3-ONES TO ESTRA-1,3,5(10)-TRIENES CYP19A1, HSD17B11, NR5A1 MAPT 3108/4885LMNA 3194/4885SERPINA6 991/4885

“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.

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