SCHEMBL2606095

SCHEMBL2606095

Cc1cc(C)cc(-c2cc(C3(c4cc(-c5cc(C)cc(C)c5)nc(-c5cc(C)cc(C)c5)c4)c4ccccc4-c4ccccc43)cc(-c3cc(C)cc(C)c3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ PDK2 Q15119 10/20 0.40
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ NQO2 P16083 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ AGTR1 P30556 1/20 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
SCHEMBL2606086 0.87 PDK2 (0.49) ESR1ESR2MAPTKMT2AKDM4E
SCHEMBL10053681 0.83 MEN1 (0.44) ESR1ESR2MAPTKMT2AKDM4E
SCHEMBL21217951 0.76 KMT2A (0.43) MAPTKMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL2606093 0.74 MAPT (0.40) ESR1ESR2MAPTKMT2AKDM4E
SCHEMBL2605968 0.74 CCR1 (0.46) ESR1ESR2MAPTKMT2AKDM4E
SCHEMBL10053625 0.73 ESR1 (0.43) ESR1ESR2MAPTKMT2AKDM4E
SCHEMBL12864314 0.73 ESR1 (0.43) ESR1ESR2MAPTKMT2AKDM4E
SCHEMBL16563057 0.73 MEN1 (0.49) ESR1ESR2MAPTKMT2AKDM4E
SCHEMBL2606143 0.72 ESR1 (0.45) ESR1ESR2MAPTKMT2AKDM4E
SCHEMBL13203138 0.71 MEN1 (0.47) ESR1ESR2MAPTKMT2AKDM4E

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 7 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
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 — — WO 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 198/4885MAPT 302/4885

“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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