SCHEMBL2605990

SCHEMBL2605990

Cc1ccc2c(c1)C(c1cc(C(=O)c3ccccc3)cc(C(=O)c3ccccc3)c1)(c1cc(-c3ccccc3)cc(-c3ccccc3)c1)c1cc(C)ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ ATM Q13315 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DHODH Q02127 2/20 0.38
▸ PDK2 Q15119 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL10053688 0.96 CNR2 (0.47) CNR2CNR1ATMTDP1L3MBTL1
SCHEMBL12864362 0.91 CNR2 (0.40) CNR2CNR1L3MBTL1PDK2MAPT
SCHEMBL2606064 0.85 PDK2 (0.44) CNR2CNR1ATMTDP1L3MBTL1
SCHEMBL2605972 0.84 ALDH1A1 (0.43) L3MBTL1PDK2MAPTPOLBMEN1
SCHEMBL12864363 0.82 ATM (0.36) CNR2CNR1ATMTDP1L3MBTL1
SCHEMBL2606061 0.81 PDK2 (0.45) CNR2CNR1ATMTDP1L3MBTL1
SCHEMBL2606060 0.81 ALDH1A1 (0.44) TDP1L3MBTL1PDK2MAPTPOLB
SCHEMBL4403150 0.78 CNR2 (0.55) CNR2CNR1ATMTDP1L3MBTL1
SCHEMBL2606131 0.78 PDK2 (0.36) CNR2CNR1ATMTDP1L3MBTL1
SCHEMBL12864302 0.77 PDK2 (0.46) ATMTDP1L3MBTL1PDK2MAPT

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 CNR2 4388/4885CNR1 4361/4885ATM 2324/4885

“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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