SCHEMBL10053625

SCHEMBL10053625

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PDK2 Q15119 11/20 0.37
▸ ACHE P22303 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CHRM5 P08912 1/20 0.31

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
SCHEMBL2606030 0.89 MEN1 (0.44) ESR1ESR2LMNAKDM4EMEN1
SCHEMBL15856396 0.84 MAPT (0.41) ESR1ESR2LMNAKDM4EMEN1
SCHEMBL15856474 0.84 PDK2 (0.44) ESR1ESR2LMNAKDM4EMEN1
SCHEMBL10053618 0.81 PDK2 (0.52) ESR1ESR2LMNAKDM4EMEN1
SCHEMBL10053596 0.80 PDK2 (0.50) ESR1ESR2LMNAKDM4EMEN1
SCHEMBL15856463 0.80 PDK2 (0.36) ESR1ESR2LMNAKDM4EMEN1
SCHEMBL15856401 0.79 ESR1 (0.35) ESR1ESR2LMNAKDM4EMEN1
SCHEMBL12879499 0.78 ESR1 (0.43) ESR1ESR2LMNAKDM4EMEN1
SCHEMBL12879500 0.78 PGR (0.42) PDK2
SCHEMBL15856423 0.76 PDK2 (0.47) PDK2

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 6 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
EP-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 — — EP 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 198/4885LMNA 2309/4885

“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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