SCHEMBL12551606

SCHEMBL12551606

Cc1cc(C)cc(-c2cccc(-c3nc(Cc4nc(-c5cccc(-c6cc(C)cc(C)c6)c5)nc(-c5cccc(-c6cc(C)cc(C)c6)c5)n4)nc(-c4cccc(-c5cc(C)cc(C)c5)c4)n3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PTPN1 P18031 1/20 0.37
▸ NR1I3 Q14994 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL4546942 0.84 L3MBTL1 (0.55) RAB9AL3MBTL1SMN1; SMN2NPC1KMT2A
SCHEMBL12551603 0.83 HRH4 (0.37) RAB9AL3MBTL1SMN1; SMN2NPC1TSHR
SCHEMBL12551593 0.82 GP6 (0.46) L3MBTL1KMT2AMEN1LMNA
SCHEMBL17244343 0.81 RAB9A (0.33) RAB9A
SCHEMBL12311632 0.81 RAB9A (0.47) RAB9AL3MBTL1SMN1; SMN2NPC1TDP1
SCHEMBL12311631 0.81 RAB9A (0.56) RAB9AL3MBTL1SMN1; SMN2NPC1TSHR
SCHEMBL4546948 0.80 L3MBTL1 (0.55) RAB9AL3MBTL1SMN1; SMN2NPC1KMT2A
SCHEMBL10128397 0.80 L3MBTL1 (0.55) RAB9AL3MBTL1SMN1; SMN2NPC1MAPK1
SCHEMBL12551612 0.80 ALDH1A1 (0.44) RAB9AL3MBTL1SMN1; SMN2MAPK1KMT2A
SCHEMBL4546940 0.79 RAB9A (0.68) RAB9AL3MBTL1SMN1; SMN2NPC1TDP1

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 RAB9A 2620/4885L3MBTL1 2095/4885SMN1; SMN2 2492/4885
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 RAB9A 2620/4885L3MBTL1 2095/4885SMN1; SMN2 2492/4885

“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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