SCHEMBL12864188

SCHEMBL12864188

O=C(c1ccccc1)c1ccc(-c2cc(-c3ccc(C(=O)c4ccccc4)cc3)cc(C3(c4cc(-c5ccc(C(=O)c6ccccc6)cc5)cc(-c5ccc(C(=O)c6ccccc6)cc5)c4)c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SRD5A2 P31213 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CDC25B P30305 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
SCHEMBL2606064 0.91 PDK2 (0.44) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL2606061 0.90 PDK2 (0.45) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL12864302 0.88 PDK2 (0.46) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL1167840 0.84 TDP1 (0.52) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL1167923 0.82 MEN1 (0.48) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL19020415 0.82 MEN1 (0.48) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL10053610 0.81 PDK2 (0.40) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL13649845 0.81 PDK2 (0.40) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL133482 0.80 RAB9A (0.72) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL12864305 0.79 TDP1 (0.47) PDK2ATMTDP1L3MBTL1THRB

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 2382/4885MEN1 428/4885KMT2A 847/4885

“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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