SCHEMBL6796496

SCHEMBL6796496

COCC1Oc2ccccc2OC1COC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
EGFR P00533 2/20 0.37
ABCB1 P08183 2/20 0.34
ADRA1B P35368 3/20 0.33
ADRA1A P35348 2/20 0.33
HTR1A P08908 1/20 0.33
LTA4H P09960 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
SCHEMBL14367864 0.82 CA2 (0.55) CA2LTA4H
SCHEMBL10975283 0.74 CA2 (0.51) CA2ADRA1BADRA1ALTA4H
SCHEMBL10975676 0.74 CA2 (0.51) CA2ADRA1BADRA1ALTA4H
SCHEMBL14367866 0.72 POLB (0.53) CA2ADRA1BADRA1AHTR1A
SCHEMBL6174128 0.72 POLB (0.53) CA2ADRA1BADRA1AHTR1A
SCHEMBL14367881 0.72 POLB (0.53) CA2ADRA1BADRA1AHTR1A
SCHEMBL10980854 0.71 TSHR (0.52) HTR1A
SCHEMBL10980851 0.71 TSHR (0.52) HTR1A
SCHEMBL10978073 0.71 TSHR (0.52) HTR1A
SCHEMBL4622391 0.70 TSHR (0.43)

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-6835735-B2 Anticancer, tyrosine kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-12-28 US disclosed
US-20030045537-A1 4-(Phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives and process for preparing the same KOREAN INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-03-06 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-20030045537-A1 4-(Phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives and process for preparing the same EGFR, ERBB2, ERBB4 CA2 1381/4885EGFR 1/4885ABCB1 801/4885

“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.