SCHEMBL12562841

SCHEMBL12562841

COC(=O)CC(=O)CCCC(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
HSD17B10 Q99714 2/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SLC1A1 P43005 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL30477388 0.88 TSHR (0.44) TSHRHSD17B10MGAMGAASI
SCHEMBL4294644 0.85 TSHR (0.61) TSHRHSD17B10MGAMGAASI
SCHEMBL14140994 0.76
SCHEMBL3266395 0.76 TSHR (0.67) TSHRHSD17B10MGAMGAASI
SCHEMBL11173057 0.76 TSHR (0.75) TSHRHSD17B10MGAMGAASI
SCHEMBL16666280 0.76 BLM (0.47) TSHRHSD17B10MGAMGAASI
SCHEMBL16666278 0.76 BLM (0.47) TSHRHSD17B10MGAMGAASI
SCHEMBL11756126 0.75 TSHR (0.61) TSHRHSD17B10MGAMGAASI
SCHEMBL5076700 0.74 MGAM (0.44) TSHRHSD17B10MGAMGAASI
SCHEMBL662653 0.74 TSHR (0.50) TSHRHSD17B10MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PALANI ANANDAN 2011-06-23 US disclosed
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PALANI ANANDAN 2011-06-23 US disclosed
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-09 US disclosed
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-09 US disclosed
US-7737155-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-06-15 US disclosed
US-7737155-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-06-15 US disclosed
WO-2008060476-A2 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-22 WO disclosed
US-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2008-01-24 US disclosed
US-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2008-01-24 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 (3 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-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 TSHR 3516/4885HSD17B10 864/4885MGAM 3330/4885
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 TSHR 3516/4885HSD17B10 864/4885MGAM 3330/4885
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 TSHR 3516/4885HSD17B10 864/4885MGAM 3330/4885

“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.