SCHEMBL4800628

SCHEMBL4800628

CCC1(C)C=Cc2cc(N)ccc2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
XDH P47989 1/20 0.53
HIF1A Q16665 7/20 0.40
EPAS1 Q99814 7/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
CA2 P00918 1/20 0.38
BACE1 P56817 1/20 0.36
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4799682 0.88 PTGS1 (0.50) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL12611966 0.83 PTGS1 (0.49) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL14930314 0.82 PTGS1 (0.54) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL4799906 0.80 PTGS1 (0.46) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL2012004 0.80 HIF1A (0.46) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL2562052 0.78 XDH (0.50) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL14925941 0.78 PTGS1 (0.50) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL4801084 0.77 PTGS1 (0.42) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL2558890 0.76 PTGS1 (0.46) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL4809948 0.76 PTGS1 (0.42) PTGS1PTGS2XDHHIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368575-B2 6-alkylamino-2,2′-disubstituted-7,8-disubstituted-2H-1-benzopyran derivatives as 5-lipoxygenase inhibitor KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-06 US disclosed
US-20050203145-A1 6-alkylamino-2,2'-disubstituted-7,8-disubstituted-2H-1-benzopyran derivatives as 5-lipoxygenase inhibitor KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY 2005-09-15 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 (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-20050203145-A1 6-alkylamino-2,2'-disubstituted-7,8-disubstituted-2H-1-benzopyran derivatives as 5-lipoxygenase inhibitor ALOX5, LOX, ALOX15 PTGS1 36/4885PTGS2 31/4885XDH 285/4885

“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.