SCHEMBL6979978

SCHEMBL6979978

CNc1ccc(OCc2ccccc2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.54
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
C5AR1 P21730 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MRGPRX4 Q96LA9 5/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
STAT3 P40763 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL28907176 0.87 C5AR1 (0.61) MAPTMAPK1TDP1L3MBTL1C5AR1
SCHEMBL9975354 0.84 PLK1 (0.43) FFAR4MAPTL3MBTL1MEN1KMT2A
SCHEMBL6980764 0.84 MRGPRX4 (0.54) MAPTL3MBTL1MRGPRX4
SCHEMBL13814708 0.83 ALDH1A1 (0.47) KMT2ASMN1; SMN2HTR1A
SCHEMBL9975338 0.83 ACP1 (0.55) MAPTC5AR1MEN1KMT2AMRGPRX4
SCHEMBL6979470 0.81 MRGPRX4 (0.57) FFAR4MRGPRX4
SCHEMBL14548607 0.80 MAPT (0.46) MAPTMAPK1TDP1L3MBTL1C5AR1
SCHEMBL2880445 0.80 MRGPRX4 (0.66) FFAR4MAPTMAPK1TDP1L3MBTL1
SCHEMBL9975265 0.79 CSF1R (0.41) FFAR4L3MBTL1APP
SCHEMBL28776233 0.79 FFAR4 (0.55) FFAR4C5AR1MEN1KMT2AMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 FFAR4 1426/4885MAPT 4100/4885MAPK1 140/4885

“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.