SCHEMBL4635687

SCHEMBL4635687

[CH2]Oc1ccc(OC)c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
CYP19A1 P11511 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL3674074 0.86 CA9 (0.50) AOC3CYP1A1CYP1B1MAPTTDP1
SCHEMBL30701949 0.86 CA9 (0.50) AOC3CYP1A1CYP1B1MAPTTDP1
SCHEMBL1045750 0.85 SMN1; SMN2 (0.50) CYP1A1CYP1B1MAPTALDH1A1CYP19A1
SCHEMBL28322511 0.78 CYP1A1 (0.44) AOC3CYP1A1CYP1B1MAPTTDP1
SCHEMBL9417290 0.77 ALDH1A1 (0.47) AOC3CYP1A1CYP1B1MAPTTDP1
SCHEMBL324648 0.77 CYP1A1 (0.40) AOC3CYP1A1CYP1B1MAPTTDP1
SCHEMBL642228 0.76 HDAC4 (0.58) MAPTALDH1A1KDM4EHPGDHDAC4
SCHEMBL5027487 0.74 CYP1A1 (0.41) AOC3CYP1A1CYP1B1MAPTTDP1
SCHEMBL1226775 0.74 ALDH1A1 (0.46) AOC3CYP1A1CYP1B1MAPTTDP1
SCHEMBL5248756 0.74 MAPT (0.41) AOC3CYP1A1CYP1B1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931425-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 WO disclosed
WO-2007043542-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-19 WO disclosed
US-6673772-B2 INHIBITING THE ENZYMATIC ACTIVITY OF HIV PROTEASE SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2004-01-06 US disclosed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed
US-20020049165-A1 Novel dipeptide compounds and their use as medicines DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2002-04-25 US disclosed
EP-1157997-A1 NOVEL DIPEPTIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2001-11-28 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-20020049165-A1 Novel dipeptide compounds and their use as medicines DNPEP, PEPD, ANPEP AOC3 1646/4885CYP1A1 1958/4885CYP1B1 1939/4885

“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.