SCHEMBL4801084

SCHEMBL4801084

CCC1(C)C=Cc2cc(N)c(C)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.42
PTGS2 P35354 1/20 0.42
XDH P47989 1/20 0.42
HIF1A Q16665 3/20 0.33
EPAS1 Q99814 2/20 0.33
SKP2 Q13309 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP7 P55210 1/20 0.32
HPGD P15428 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
BACE1 P56817 1/20 0.31
S100B P04271 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
Carbamic Acid SCHEMBL4795442 0.92 PTGS1 (0.40) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL4795100 0.88 PTGS1 (0.40) PTGS1PTGS2XDHHIF1ASKP2
SCHEMBL4799147 0.81 ALDH1A1 (0.46) XDHHIF1AEPAS1CYP3A4TSHR
SCHEMBL4799196 0.81 PTGS1 (0.38) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL4800628 0.77 PTGS1 (0.53) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL14930314 0.75 PTGS1 (0.54) PTGS1PTGS2XDHHIF1AEPAS1
Carbamic Acid SCHEMBL4800912 0.74 ALDH1A1 (0.50) XDHHIF1AEPAS1CYP3A4ALDH1A1
SCHEMBL14178686 0.70 MEN1 (0.41) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL2558890 0.69 PTGS1 (0.46) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL2562052 0.69 XDH (0.50) 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 4 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-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-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.