SCHEMBL12864298

SCHEMBL12864298

O=C(c1cc(C(=O)c2ccccc2-c2ccccc2)cc(C2(c3cc(C(=O)c4ccccc4-c4ccccc4)cc(C(=O)c4ccccc4-c4ccccc4)c3)c3ccccc3-c3ccccc32)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.44
▸ MAPK13 O15264 1/20 0.42
▸ MAPK12 P53778 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA3 P32297 2/20 0.40
▸ CHRNA4 P43681 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PDK2 Q15119 3/20 0.39
▸ CDC25B P30305 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HNF4A P41235 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL2606130 0.92 BCAT2 (0.38) BCAT2MAPK13MAPK12MAPK11MAPK14
SCHEMBL134291 0.84 BCAT2 (0.59) BCAT2MAPK13MAPK12MAPK11MAPK14
SCHEMBL12864302 0.84 PDK2 (0.46) THRBTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL1167840 0.83 TDP1 (0.52) THRBTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL12864226 0.82 ALDH1A1 (0.44) MAPK14THRBTDP1MEN1KMT2A
SCHEMBL12864218 0.82 ESR1 (0.48) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL29307110 0.82 PDK2 (0.48) BCAT2MAPK13MAPK12MAPK11MAPK14
SCHEMBL133990 0.82 BCAT2 (0.57) BCAT2MAPK13MAPK12MAPK11MAPK14
SCHEMBL12864305 0.81 TDP1 (0.47) THRBTDP1PDK2ATM
SCHEMBL2606064 0.81 PDK2 (0.44) THRBTDP1MEN1KMT2ASMN1; SMN2

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 BCAT2 1716/4885MAPK13 2245/4885MAPK12 1955/4885

“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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