SCHEMBL2606131

SCHEMBL2606131

O=C(c1ccccc1)c1cc(-c2ccccc2)cc(C2(c3cc(C(=O)c4ccccc4)cc(-c4ccccc4)c3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CNR2 P34972 5/20 0.34
▸ KMO O15229 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CNR1 P21554 3/20 0.32
▸ TDP2 O95551 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ DHODH Q02127 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
SCHEMBL12864363 0.96 ATM (0.36) PDK2RAB9ANPC1HPGDCNR2
SCHEMBL2606148 0.85 ALDH1A1 (0.35) PDK2ATMTDP1L3MBTL1MEN1
SCHEMBL22175308 0.84 PDK2 (0.42) PDK2RAB9ANPC1HPGDCNR2
SCHEMBL2606061 0.82 PDK2 (0.45) PDK2RAB9ACNR2KMOATM
SCHEMBL12864350 0.82 KDM4E (0.33) PDK2TDP1L3MBTL1MAPTALDH1A1
SCHEMBL10053688 0.81 CNR2 (0.47) PDK2RAB9ACNR2KMOATM
SCHEMBL13781080 0.81 PDK2 (0.43) PDK2RAB9ANPC1HPGDCNR2
SCHEMBL10054080 0.81 KDM4E (0.33) PDK2TDP1L3MBTL1MAPTALDH1A1
SCHEMBL132979 0.81 PDK2 (0.50) PDK2RAB9ANPC1HPGDCNR2
SCHEMBL12864426 0.80 PDK2 (0.32) PDK2TDP1L3MBTL1MAPTALDH1A1

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 PDK2 2382/4885RAB9A 1189/4885NPC1 712/4885

“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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