SCHEMBL2605963

SCHEMBL2605963

CCc1ccc(N(c2ccc(CC)cc2)c2cc(N(c3ccc(CC)cc3)c3ccc(CC)cc3)cc(C3(c4cc(N(c5ccc(CC)cc5)c5ccc(CC)cc5)cc(N(c5ccc(CC)cc5)c5ccc(CC)cc5)c4)c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.41
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ PTAFR P25105 1/20 0.31
▸ RPS6KA2 Q15349 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
SCHEMBL10053692 0.91 ESR1 (0.39) PDK2ESR1ESR2MAPTSMN1; SMN2
SCHEMBL12864081 0.85 MEN1 (0.43) PDK2ESR1ESR2MAPTSMN1; SMN2
SCHEMBL2606117 0.84 ESR1 (0.44) PDK2ESR1ESR2MAPTSMN1; SMN2
SCHEMBL2605962 0.84 MEN1 (0.44) PDK2ESR1ESR2MAPTSMN1; SMN2
SCHEMBL12325198 0.83 PDK2 (0.46) PDK2ESR1ESR2MAPTSMN1; SMN2
SCHEMBL2606104 0.81 KDM4E (0.40) PDK2ESR1ESR2MAPTSMN1; SMN2
SCHEMBL12864413 0.81 MAPT (0.40) PDK2ESR1ESR2MAPTSMN1; SMN2
SCHEMBL2605976 0.81 MEN1 (0.46) PDK2ESR1ESR2MAPTSMN1; SMN2
SCHEMBL12864073 0.81 MEN1 (0.42) PDK2ESR1ESR2MAPTSMN1; SMN2
SCHEMBL2606041 0.81 ESR1 (0.38) PDK2ESR1ESR2MAPTSMN1; SMN2

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 4 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
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

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 PDK2 2382/4885ESR1 36/4885ESR2 198/4885

“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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