SCHEMBL12864215

SCHEMBL12864215

Cc1cc(C)cc(C(=O)c2cc(C(=O)c3cc(C)cc(C)c3)cc(C3(c4cc(C(=O)c5cc(C)cc(C)c5)cc(C(=O)c5cc(C)cc(C)c5)c4)c4ccccc4-c4ccccc43)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDK2 Q15119 8/20 0.39
▸ POLB P06746 1/20 0.37
▸ TPMT P51580 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KIF11 P52732 1/20 0.34

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
SCHEMBL12864217 0.90 POLB (0.47) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL2605984 0.89 ALDH1A1 (0.48) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL12864314 0.87 ESR1 (0.43) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL1167840 0.85 TDP1 (0.52) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL2605973 0.83 VNN1 (0.41) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL12864218 0.82 ESR1 (0.48) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL12864223 0.81 CNR1 (0.41) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL12864228 0.81 ESR1 (0.40) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL2605975 0.80 PDK2 (0.46) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL12864302 0.80 PDK2 (0.46) ESR1ESR2MEN1KMT2ALMNA

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 ESR1 36/4885ESR2 198/4885MEN1 428/4885

“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.

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