SCHEMBL18805044

SCHEMBL18805044

Cc1ccc(OCc2cccc([18F])c2)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.64
EGFR P00533 12/20 0.59
ERBB2 P04626 10/20 0.59
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57
GAK O14976 1/20 0.51
MAOB P27338 2/20 0.49
ERBB3 P21860 1/20 0.49
ERBB4 Q15303 1/20 0.49

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
SCHEMBL11910290 1.00 MRGPRX4 (0.64) MRGPRX4EGFRERBB2KDM4EGAA
SCHEMBL24388658 0.85 CYP1A2 (0.61) EGFRERBB2GAKMAOB
SCHEMBL12864874 0.85 MAOB (0.56) MRGPRX4EGFRERBB2KDM4EGAA
SCHEMBL12524900 0.85 MRGPRX4 (0.62) MRGPRX4KDM4EGAAMAOB
SCHEMBL12824288 0.85 MRGPRX4 (0.67) MRGPRX4KDM4EMAOB
SCHEMBL11960847 0.84 EGFR (0.56) MRGPRX4EGFRERBB2KDM4EGAA
SCHEMBL29826082 0.84 MRGPRX4 (0.65) MRGPRX4MAOB
SCHEMBL22874527 0.84 EGFR (0.55) MRGPRX4EGFRERBB2KDM4EGAA
SCHEMBL25648997 0.84 EGFR (0.55) MRGPRX4EGFRERBB2GAKMAOB
SCHEMBL17858626 0.83 MRGPRX4 (0.53) MRGPRX4

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-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES THE GENERAL HOSPITAL CORPORATION 2017-05-04 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-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES FLI1, ABL1, PFAS MRGPRX4 1405/4885EGFR 635/4885ERBB2 1454/4885

“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.