SCHEMBL12551712

SCHEMBL12551712

O=C(c1cc(-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4ccccc4)c3)c2)cc(-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4ccccc4)c3)c2)c1)c1cc(-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4ccccc4)c3)c2)cc(-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4ccccc4)c3)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.69
▸ DHODH Q02127 3/20 0.61
▸ HDAC8 Q9BY41 2/20 0.57
▸ ATM Q13315 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ EGFR P00533 1/20 0.52
▸ ERCC5 P28715 1/20 0.52
▸ FEN1 P39748 1/20 0.52
▸ ACMSD Q8TDX5 1/20 0.50
▸ RXRA P19793 1/20 0.50
▸ RXRB P28702 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MGLL Q99685 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL12551723 1.00 KMO (0.69) KMODHODHHDAC8ATMTDP1
SCHEMBL12181767 1.00 KMO (0.69) KMODHODHHDAC8ATMTDP1
SCHEMBL134060 1.00 KMO (0.69) KMODHODHHDAC8ATMTDP1
SCHEMBL12551791 1.00 KMO (0.69) KMODHODHHDAC8ATMTDP1
SCHEMBL12551710 1.00 KMO (0.69) KMODHODHHDAC8ATMTDP1
SCHEMBL12551756 1.00 KMO (0.69) KMODHODHHDAC8ATMTDP1
SCHEMBL21397887 0.98 KMO (0.67) KMODHODHHDAC8ATMTDP1
SCHEMBL12551714 0.98 KMO (0.67) KMODHODHHDAC8ATMTDP1
SCHEMBL12551736 0.96 KMO (0.70) KMODHODHHDAC8ATMTDP1
SCHEMBL15159210 0.96 KMO (0.70) KMODHODHHDAC8ATMTDP1

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-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 — — US disclosed
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 — — US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 — — US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 — — 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 (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-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 KMO 2354/4885DHODH 3617/4885HDAC8 4714/4885
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 KMO 2354/4885DHODH 3617/4885HDAC8 4714/4885

“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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