SCHEMBL12864302

SCHEMBL12864302

O=C(c1ccc(-c2ccccc2)cc1)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)cc(C2(c3cc(C(=O)c4ccc(-c5ccccc5)cc4)cc(C(=O)c4ccc(-c5ccccc5)cc4)c3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.46
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ POLB P06746 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ATM Q13315 2/20 0.42
▸ CDC25B P30305 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ESR1 P03372 1/20 0.39

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
SCHEMBL10053610 0.92 PDK2 (0.40) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL13649845 0.92 PDK2 (0.40) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL2606064 0.91 PDK2 (0.44) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL1167840 0.91 TDP1 (0.52) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL2606061 0.90 PDK2 (0.45) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL12864305 0.88 TDP1 (0.47) PDK2ATMTDP1THRBL3MBTL1
SCHEMBL12864188 0.88 PDK2 (0.49) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL2605984 0.85 ALDH1A1 (0.48) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL2605975 0.85 PDK2 (0.46) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL12864298 0.84 BCAT2 (0.44) PDK2MAPTMEN1KMT2ALMNA

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 5 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
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 PDK2 2382/4885MAPT 302/4885MEN1 428/4885

“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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