SCHEMBL12116351

SCHEMBL12116351

Cn1c2ccccc2c2cc3c(cc21)-c1ccc(-n2c4ccccc4c4ccccc42)cc1C3(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.42
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ HPGD P15428 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ ATM Q13315 2/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ PSEN1 P49768 1/20 0.34

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
SCHEMBL22899975 0.91 MAPT (0.39) GPR3MAPTKDM4EHPGDALDH1A1
SCHEMBL12116339 0.90 RXRA (0.46) GPR3MAPTKDM4EHPGDALDH1A1
SCHEMBL12116350 0.88 KDM4E (0.49) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL14039130 0.87 KDM4E (0.44) GPR3MAPTKDM4EHPGDALDH1A1
SCHEMBL2754646 0.87 KDM4E (0.47) GPR3MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL29395140 0.87 KDM4E (0.47) GPR3MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL30099099 0.87 KDM4E (0.47) GPR3MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL29395699 0.87 KDM4E (0.47) GPR3MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL16605610 0.86 KDM4E (0.43) GPR3MAPTKDM4EHPGDALDH1A1
SCHEMBL14039188 0.86 KDM4E (0.43) GPR3MAPTKDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 — — US disclosed
US-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 — — 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-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, SLCO2A1, SLCO2B1 GPR3 3288/4885MAPT 1537/4885KDM4E 3857/4885

“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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