SCHEMBL4809948

SCHEMBL4809948

COc1ccc(CCC2(C)C=Cc3cc(N)ccc3O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
XDH P47989 1/20 0.42
HIF1A Q16665 7/20 0.41
EPAS1 Q99814 6/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP19A1 P11511 1/20 0.40
MAOB P27338 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
PLIN1 O60240 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL4799906 0.85 PTGS1 (0.46) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL14178675 0.80 HIF1A (0.51) HIF1AEPAS1NPSR1TDP1GAA
SCHEMBL14178676 0.80 HIF1A (0.51) HIF1AEPAS1NPSR1TDP1GAA
Carbamic Acid SCHEMBL4800108 0.80 PTGS1 (0.44) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL4799682 0.79 PTGS1 (0.50) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL14178681 0.77 HIF1A (0.49) HIF1AEPAS1TDP1GAAMEN1
SCHEMBL4800628 0.76 PTGS1 (0.53) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL12611966 0.72 PTGS1 (0.49) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL14178696 0.72 NCF1 (0.39) HIF1AEPAS1MEN1LMNAMAPT
SCHEMBL2012004 0.69 HIF1A (0.46) 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.