SCHEMBL2605969

SCHEMBL2605969

Cc1ccc(C(=O)c2cc(C3(c4cc(C(=O)c5ccc(C)cc5)nc(C(=O)c5ccc(C)cc5)c4)c4ccccc4-c4ccccc43)cc(C(=O)c3ccc(C)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ MAPT P10636 5/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ USP2 O75604 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SRD5A2 P31213 1/20 0.37
▸ CES2 O00748 1/20 0.37

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
SCHEMBL12864314 0.90 ESR1 (0.43) ALDH1A1ESR1ESR2LMNAMAPT
SCHEMBL12864317 0.88 ALDH1A1 (0.48) ALDH1A1ESR1ESR2LMNAMAPT
SCHEMBL2605984 0.87 ALDH1A1 (0.48) ALDH1A1ESR1ESR2LMNAMAPT
SCHEMBL2606144 0.81 ALDH1A1 (0.42) ALDH1A1ESR1ESR2LMNAMAPT
SCHEMBL13649825 0.79 ESR1 (0.37) ALDH1A1ESR1ESR2LMNAMAPT
SCHEMBL12864215 0.77 ESR1 (0.46) ALDH1A1ESR1ESR2LMNAMAPT
SCHEMBL4402334 0.77 PDK2 (0.54) ALDH1A1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL12864328 0.76 ALDH1A1 (0.42) ALDH1A1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL13663839 0.75 SRD5A2 (0.46) ALDH1A1ESR1ESR2LMNAMAPT
SCHEMBL822951 0.75 SRD5A2 (0.46) ALDH1A1ESR1ESR2LMNAMAPT

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 7 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
EP-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 — — EP 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
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 — — WO 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 ALDH1A1 2171/4885ESR1 36/4885ESR2 198/4885

“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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