SCHEMBL20007057

SCHEMBL20007057

Fc1ccc(-c2ccccc2-c2cc(Cl)cc(-c3ccccc3-c3ccc(F)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.47
PTGS1 P23219 3/20 0.47
RPS6KA3 P51812 2/20 0.42
ABL1 P00519 1/20 0.41
ABCB1 P08183 1/20 0.41
BCR P11274 1/20 0.41
MAPK14 Q16539 2/20 0.40
GCGR P47871 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NR4A2 P43354 1/20 0.39
HTR7 P34969 1/20 0.39
PDK2 Q15119 1/20 0.38
ALDH1A3 P47895 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAOB P27338 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 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
SCHEMBL23487538 0.82 CYP2A6 (0.54) PTGS2PTGS1ABL1ABCB1BCR
SCHEMBL26204709 0.82 CYP2A6 (0.45) PTGS2PTGS1RPS6KA3ALDH1A1SMN1; SMN2
SCHEMBL31720941 0.81 CYP1A2 (0.52) PTGS2PTGS1ABL1ABCB1BCR
SCHEMBL26549526 0.80 RXRA (0.45) PTGS2NPC1MAOBRAB9ASMN1; SMN2
SCHEMBL19833339 0.80 LDHA (0.40) PTGS2RPS6KA3ALDH1A3NPC1ALDH1A1
SCHEMBL27649740 0.77 PTGS2 (0.57) PTGS2PTGS1MAPK14GCGRSLC6A4
SCHEMBL2161599 0.76 CYP2A6 (0.65) PTGS2PTGS1SLC6A4SLC6A3NR4A2
Hydrogen Sulfide SCHEMBL27719947 0.75 PTGS2 (0.55) PTGS2PTGS1MAPK14GCGRSLC6A4
SCHEMBL18241028 0.75 PTGS2 (0.55) PTGS2PTGS1MAPK14GCGRSLC6A4
Methane SCHEMBL27503142 0.74 CYP2A6 (0.62) PTGS2PTGS1SLC6A4SLC6A3NR4A2

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-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
WO-2018054798-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-29 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 (2 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 PTGS2 4366/4885PTGS1 4706/4885RPS6KA3 4147/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 PTGS2 4366/4885PTGS1 4706/4885RPS6KA3 4147/4885

“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.