SCHEMBL22799720

SCHEMBL22799720

COC(=O)c1cc(COCc2cccc(C(C)(C)C)c2)cc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
MRGPRX4 Q96LA9 5/20 0.46
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACHE P22303 3/20 0.43
NR1H4 Q96RI1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.42
SLC7A5 Q01650 1/20 0.41

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
SCHEMBL1188655 0.83 CA1 (0.45) LOXL2CYP4F2CYP4A11CA1CA2
SCHEMBL1205032 0.81 CA1 (0.43) LOXL2CYP4F2CYP4A11CA1CA2
SCHEMBL6000185 0.80 LOXL2 (0.70) LOXL2MRGPRX4CYP4F2CYP4A11KDM4E
SCHEMBL348504 0.80 TACR1 (0.54) MRGPRX4ACHETSHR
SCHEMBL14508869 0.79 CA1 (0.49) LOXL2CYP4F2CYP4A11CA1CA2
SCHEMBL14293711 0.78 NOTUM (0.49) LOXL2CYP4F2CYP4A11CA1CA2
SCHEMBL1787501 0.78 ACHE (0.59) LOXL2CYP4F2CYP4A11CA1CA2
SCHEMBL546533 0.77 CA1 (0.46) LOXL2CYP4F2CYP4A11PRKCAPRKCD
SCHEMBL14505830 0.77 HPGD (0.63) LOXL2CYP4F2CYP4A11CA1CA2
SCHEMBL17403212 0.77 CA1 (0.44) LOXL2CYP4F2CYP4A11CA1CA2

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-20200392170-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2020-12-17 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-20200392170-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS LOXL2 1752/4885MRGPRX4 2219/4885CYP4F2 2062/4885

“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.