SCHEMBL25834064

SCHEMBL25834064

O=C(OBr)c1cc(CF)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
CES2 O00748 2/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
MRGPRX4 Q96LA9 4/20 0.39
IDO1 P14902 2/20 0.36
MLYCD O95822 1/20 0.35
PTPN1 P18031 1/20 0.34
GSK3B P49841 1/20 0.34
NR4A2 P43354 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
LMNA P02545 1/20 0.34
MTOR P42345 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
SCHEMBL26536749 0.84 CES2 (0.59) NOTUMCES2RXRARXRBRXRG
SCHEMBL14107748 0.79 NOTUM (0.46) NOTUMCES2PRKCAPRKCDMRGPRX4
SCHEMBL16716029 0.79 PTPN1 (0.54) NOTUMCES2PRKCAPRKCDMRGPRX4
SCHEMBL13099993 0.78 RXRA (0.52) NOTUMCES2PRKCAPRKCDMRGPRX4
SCHEMBL13679018 0.78 CES2 (0.47) CES2MRGPRX4IDO1MLYCD
SCHEMBL15746568 0.75 CES2 (0.44) NOTUMCES2PRKCAPRKCDMRGPRX4
SCHEMBL13528943 0.74 KMT2A (0.45) PRKCAPRKCDLMNA
SCHEMBL21712070 0.73 NOTUM (0.65) NOTUMCES2PRKCAPRKCDMRGPRX4
SCHEMBL13611312 0.73 MASP2 (0.40) NOTUMPRKCAPRKCDMRGPRX4LMNA
SCHEMBL5776968 0.72 IDO1 (0.54) CES2IDO1MLYCDRXRARXRB

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-20230225196-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-07-13 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-20230225196-A1 MATERIALS FOR ELECTRONIC DEVICES SELE, EPHA6, EPX NOTUM 2686/4885CES2 37/4885PRKCA 3215/4885

“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.