SCHEMBL4413561

SCHEMBL4413561

COC(=O)c1cccc(Oc2ccccc2)c1O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
TSPO P30536 2/20 0.52
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
CTNNB1 P35222 1/20 0.51
SLC6A3 Q01959 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CXCR2 P25025 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CFTR P13569 1/20 0.46
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL28044475 0.88 PNLIP (0.46) HSD17B10KDM4ETDP1TSPOLMNA
SCHEMBL2540179 0.86 CTNNB1 (0.62) HSD17B10KDM4ETDP1TSPOCTNNB1
SCHEMBL7059810 0.85 HSD17B10 (0.59) HSD17B10KDM4ETDP1LMNATSHR
SCHEMBL13518568 0.85 MAPK1 (0.52) HSD17B10KDM4ELMNATSHRRAB9A
Hydrochloric Acid SCHEMBL6690115 0.85 CTNNB1 (0.61) HSD17B10KDM4ETDP1TSPOCTNNB1
SCHEMBL11744423 0.84 HSD17B10 (0.63) HSD17B10KDM4ETDP1TSPOLMNA
SCHEMBL11114394 0.83 CTNNB1 (0.54) HSD17B10KDM4ETDP1TSPOLMNA
SCHEMBL7059062 0.83 SLC6A3 (0.51) HSD17B10KDM4ETDP1LMNATSHR
SCHEMBL30446093 0.83 TDP1 (0.52) HSD17B10KDM4ETDP1TSPOLMNA
Methyl 2-Hydroxy-3-Methoxybenzoate SCHEMBL1339162 0.81 TAS1R3 (0.56) HSD17B10KDM4ELMNATSHRSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572791-B2 Therapeutic morpholino-substituted compounds ASTRAZENECA AB (SE) 2009-08-11 US disclosed
US-20080312233-A1 Therapeutic Morpholino-Substituted Compounds KINACIA PTY. LTD. (AU) 2008-12-18 US disclosed
US-20080206312-A1 Therapeutic Morpholino-Substituted Compounds KINACIA PTY. LTD. (AU) 2008-08-28 US disclosed
US-7405211-B2 Using 2-morpholinyl-4H-pyrido(1,2-a)pyrimidin-4-one; enzyme inhibitors; antithrombotic agents ; restenosis; atherosclerosis; antihistamines; chronic obsessive pulminary disease; autoimmune diseases; anticancer agents; antiinflammatory agents ASTRAZENECA AB (SE) 2008-07-29 US disclosed
EP-1857443-A2 Therapeutic morpholino-substituted compounds AstraZeneca AB (SE) 2007-11-21 EP disclosed
EP-1257537-B1 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS ASTRAZENECA AB (SE) 2007-05-30 EP disclosed
US-6977255-B2 Therapeutic morpholino-substituted compounds KINACIA PTY. LTD. (AU) 2005-12-20 US disclosed
US-20050085471-A1 Therapeutic morpholino-substituted compounds KINACIA PTY LTD. 2005-04-21 US disclosed
EP-1257537-A4 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS KINACIA PTY LTD (AU) 2003-04-23 EP disclosed
EP-1257537-A1 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS Kinacia Pty Ltd (AU) 2002-11-20 EP disclosed
WO-2001053266-A1 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS KINACIA PTY LTD. (AU) 2001-07-26 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 (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-20050085471-A1 Therapeutic morpholino-substituted compounds PIK3CA, PTK2, PDPK1 HSD17B10 3817/4885KDM4E 2663/4885TDP1 1973/4885
US-20080206312-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 HSD17B10 3827/4885KDM4E 2656/4885TDP1 1958/4885
US-20080312233-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 HSD17B10 3827/4885KDM4E 2656/4885TDP1 1958/4885

“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.