SCHEMBL2605975

SCHEMBL2605975

O=C(c1ccc(F)cc1)c1cc(C(=O)c2ccc(F)cc2)cc(C2(c3cc(C(=O)c4ccc(F)cc4)cc(C(=O)c4ccc(F)cc4)c3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.46
▸ LTA4H P09960 1/20 0.41
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ ATM Q13315 2/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL12864223 0.89 CNR1 (0.41) PDK2LMNASMN1; SMN2ESR1ESR2
SCHEMBL1167840 0.87 TDP1 (0.52) PDK2LMNASMN1; SMN2ALDH1A1ESR1
SCHEMBL12864224 0.85 CES2 (0.45) PDK2ESR1ESR2ATMTDP1
SCHEMBL12864302 0.85 PDK2 (0.46) PDK2LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL2605984 0.85 ALDH1A1 (0.48) PDK2LMNASMN1; SMN2HPGDUSP2
SCHEMBL1552895 0.83 PDK2 (0.57) PDK2LTA4HLMNASMN1; SMN2HPGD
SCHEMBL1552668 0.83 PDK2 (0.57) PDK2LTA4HLMNASMN1; SMN2HPGD
SCHEMBL2605937 0.83 CHRM5 (0.37) PDK2LMNASMN1; SMN2ESR1ESR2
SCHEMBL13663842 0.81 SRD5A2 (0.46) PDK2LTA4HLMNASMN1; SMN2ALDH1A1
SCHEMBL12864216 0.81 SRD5A2 (0.47) PDK2LMNASMN1; SMN2ALDH1A1NPC1

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 PDK2 2382/4885LTA4H 3629/4885LMNA 2309/4885

“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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