SCHEMBL12864218

SCHEMBL12864218

Cc1ccccc1C(=O)c1cc(C(=O)c2ccccc2C)cc(C2(c3cc(C(=O)c4ccccc4C)cc(C(=O)c4ccccc4C)c3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.43
▸ HTT P42858 3/20 0.42
▸ MAPK14 Q16539 5/20 0.39
▸ MAPK11 Q15759 4/20 0.39
▸ MAPK13 O15264 3/20 0.39
▸ MAPK12 P53778 3/20 0.39
▸ MYC P01106 1/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ENPP3 O14638 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ XIAP P98170 1/20 0.36
▸ CYP2C9 P11712 2/20 0.36

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
SCHEMBL10054058 0.92 ESR1 (0.42) ESR1ESR2ALDH1A1HTTMAPK14
SCHEMBL12864298 0.82 BCAT2 (0.44) ESR1ESR2ALDH1A1MAPK14MAPK11
SCHEMBL12864226 0.82 ALDH1A1 (0.44) ESR1ESR2ALDH1A1MAPK14MEN1
SCHEMBL132972 0.82 ALDH1A1 (0.48) ESR1ESR2ALDH1A1HTTMAPK14
SCHEMBL12864215 0.82 ESR1 (0.46) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL2605984 0.81 ALDH1A1 (0.48) ESR1ESR2ALDH1A1HTTMEN1
SCHEMBL1167840 0.80 TDP1 (0.52) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL12864217 0.78 POLB (0.47) ESR1ESR2MAPK14MAPK11MAPK13
SCHEMBL2606130 0.76 BCAT2 (0.38) ESR1ESR2ALDH1A1HTTMAPK14
SCHEMBL1168088 0.76 PDK2 (0.47) ESR1ESR2MEN1KMT2ALMNA

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 ESR1 36/4885ESR2 198/4885ALDH1A1 2171/4885

“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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