SCHEMBL12864332

SCHEMBL12864332

Cc1cc(C)cc(C(=O)c2nc(C(=O)c3cc(C)cc(C)c3)nc(C3(c4nc(C(=O)c5cc(C)cc(C)c5)nc(C(=O)c5cc(C)cc(C)c5)n4)c4ccccc4-c4ccccc43)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ PDK2 Q15119 9/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ THRB P10828 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TPMT P51580 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL12864328 0.87 ALDH1A1 (0.42) PDK2MEN1KMT2ANPC1RAB9A
SCHEMBL2605986 0.84 PDK2 (0.41) PDK2MEN1KMT2ALMNAALDH1A1
SCHEMBL13649833 0.82 ALDH1A1 (0.37) PDK2MEN1KMT2ANPC1RAB9A
SCHEMBL12864314 0.79 ESR1 (0.43) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL12864215 0.77 ESR1 (0.46) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL2606093 0.75 MAPT (0.40) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL12551454 0.75 TPMT (0.50) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL12864439 0.72 PDK2 (0.31) PDK2
SCHEMBL2605969 0.69 ALDH1A1 (0.43) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL12864217 0.68 POLB (0.47) ESR1ESR2PDK2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ESR1 36/4885ESR2 198/4885PDK2 2382/4885

“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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