SCHEMBL12864223

SCHEMBL12864223

O=C(c1cc(F)cc(F)c1)c1cc(C(=O)c2cc(F)cc(F)c2)cc(C2(c3cc(C(=O)c4cc(F)cc(F)c4)cc(C(=O)c4cc(F)cc(F)c4)c3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ CHRM5 P08912 3/20 0.41
▸ PDK2 Q15119 7/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ VNN1 O95497 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ ATM Q13315 1/20 0.35

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
SCHEMBL2605937 0.93 CHRM5 (0.37) CNR1CNR2CHRM5PDK2ESR1
SCHEMBL12864224 0.90 CES2 (0.45) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL2605975 0.89 PDK2 (0.46) CHRM5PDK2ESR1ESR2MEN1
SCHEMBL12879929 0.87 VNN1 (0.45) PDK2VNN1
SCHEMBL1167840 0.85 TDP1 (0.52) CNR1CNR2PDK2ESR1ESR2
SCHEMBL12864226 0.82 ALDH1A1 (0.44) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL12864215 0.81 ESR1 (0.46) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL12864302 0.80 PDK2 (0.46) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL2605984 0.80 ALDH1A1 (0.48) CNR1CNR2PDK2ESR1ESR2
SCHEMBL12864225 0.78 VNN1 (0.39) VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023117835-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 — — WO disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — 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-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 CNR1 4361/4885CNR2 4388/4885CHRM5 489/4885

“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.

Send feedback