SCHEMBL4795100

SCHEMBL4795100

CCCC1(C)C=Cc2cc(N)c(C)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.40
PTGS2 P35354 1/20 0.40
XDH P47989 1/20 0.40
ALOX5 P09917 1/20 0.36
SKP2 Q13309 1/20 0.35
BACE1 P56817 1/20 0.34
TRPA1 O75762 1/20 0.33
LDHA P00338 1/20 0.33
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CNR2 P34972 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
TRPV2 Q9Y5S1 1/20 0.33
PDE4D Q08499 1/20 0.32
PTPN1 P18031 2/20 0.31

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
SCHEMBL4801084 0.88 PTGS1 (0.42) PTGS1PTGS2XDHALOX5SKP2
SCHEMBL4799196 0.84 PTGS1 (0.38) PTGS1PTGS2XDHALOX5SKP2
Carbamic Acid SCHEMBL4795442 0.80 PTGS1 (0.40) PTGS1PTGS2XDHALOX5BACE1
SCHEMBL4799147 0.79 ALDH1A1 (0.46) XDHCYP3A4TSHRMAPK1ALDH1A1
SCHEMBL4799682 0.79 PTGS1 (0.50) PTGS1PTGS2XDHALOX5BACE1
SCHEMBL14178710 0.72 MEN1 (0.40) PTGS1PTGS2XDHCYP3A4CYP1A2
Carbamic Acid SCHEMBL4800912 0.72 ALDH1A1 (0.50) XDHPTPN1CYP3A4ALDH1A1HPGD
SCHEMBL14178711 0.68 CRHR1 (0.38) PTGS1PTGS2XDHCNR1TDP1
SCHEMBL12696493 0.68 USP2 (0.33) PTGS1PTGS2XDHBACE1SLC6A2
SCHEMBL19852570 0.67 PTGS1 (0.40) PTGS1PTGS2XDHALOX5BACE1

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.