SCHEMBL26547846

SCHEMBL26547846

Cc1cc(C2(c3ccc(O)cc3)c3ccccc3-c3ccc(Br)cc32)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
PDK2 Q15119 5/20 0.42
POLB P06746 3/20 0.39
CASP6 P55212 1/20 0.39
MAPT P10636 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 1/20 0.36
OPRK1 P41145 1/20 0.36
GPR55 Q9Y2T6 3/20 0.34
CNR1 P21554 1/20 0.34
HTT P42858 1/20 0.34
GPR35 Q9HC97 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
PDE4D Q08499 3/20 0.34
TDP1 Q9NUW8 2/20 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
SCHEMBL29523761 0.86 PDK2 (0.50) ESR1ESR2PDK2POLBMAPT
SCHEMBL3813379 0.86 PDK2 (0.50) ESR1ESR2PDK2POLBMAPT
SCHEMBL21793378 0.85 ESR1 (0.49) ESR1ESR2PDK2MAPTMEN1
SCHEMBL29524532 0.85 ESR1 (0.49) ESR1ESR2PDK2MAPTMEN1
SCHEMBL26547762 0.85 PDK2 (0.48) ESR1ESR2PDK2POLBMAPT
SCHEMBL26547809 0.84 PDK2 (0.47) ESR1ESR2PDK2MAPTMEN1
SCHEMBL21793191 0.83 PDK2 (0.48) ESR1ESR2PDK2POLBMAPT
SCHEMBL26547827 0.81 PDK2 (0.47) ESR1ESR2PDK2POLBMAPT
SCHEMBL26156862 0.80 POLB (0.51) ESR1ESR2PDK2POLBCASP6
SCHEMBL3879785 0.80 ESR1 (0.50) ESR1ESR2PDK2POLBMAPT

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-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2023-10-12 US disclosed
US-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2023-10-12 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-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor NOTUM, OR51E2, ORMDL3 ESR1 473/4885ESR2 1786/4885PDK2 3786/4885

“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.