SCHEMBL12037517

SCHEMBL12037517

CCC(C)(C)C(=O)Nc1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ RIPK1 Q13546 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NOX1 Q9Y5S8 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.48
▸ PDK1 Q15118 5/20 0.47
▸ PDK2 Q15119 5/20 0.47
▸ PDK3 Q15120 5/20 0.47
▸ PDK4 Q16654 5/20 0.47
▸ ABCC9 O60706 3/20 0.46
▸ ABCC8 Q09428 3/20 0.46
▸ KCNJ11 Q14654 3/20 0.46
▸ KCNJ8 Q15842 3/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46

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
SCHEMBL13020931 0.96 MEN1 (0.47) MEN1KMT2ARIPK1NPC1RAB9A
SCHEMBL750651 0.87 RIPK1 (0.59) MEN1KMT2ARIPK1NPC1RAB9A
SCHEMBL10160825 0.86 NPSR1 (0.40) MEN1KMT2ARIPK1NPC1RAB9A
SCHEMBL10025412 0.86 CYP3A4 (0.42) MEN1KMT2ARIPK1NPC1RAB9A
SCHEMBL12226380 0.85 L3MBTL1 (0.61) MEN1KMT2ARIPK1TDP1HDAC1
SCHEMBL19501813 0.84 NPC1 (0.57) MEN1KMT2ARIPK1NPC1RAB9A
SCHEMBL12863539 0.84 S1PR4 (0.54) MEN1KMT2ARIPK1NPC1RAB9A
SCHEMBL12863546 0.81 HDAC1 (0.55) MEN1KMT2ARIPK1NPC1RAB9A
SCHEMBL26212756 0.80 LMNA (0.45) MEN1KMT2ANPC1RAB9APDK1
SCHEMBL12226381 0.80 L3MBTL1 (0.73) MEN1KMT2ARIPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9425402-B2 Polymerizable monomer, and material for organic device, hole injection/transport material, material for organic electroluminescence element and organic electroluminescent element each comprising polymer (polymeric compound) of the polymerizable monomer IDEMITSU KOSAN CO., LTD. (JP) 2016-08-23 — — US disclosed
US-20150084031-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER IDEMITSU KOSAN CO (JP) 2015-03-26 — — US disclosed
US-20110315964-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER IDEMITSU LOSAN CO., LTD. 2011-12-29 — — 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-20150084031-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER EPB41, USE1, EPB41L2 MEN1 1086/4885KMT2A 4229/4885RIPK1 3644/4885
US-20110315964-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER EPB41, USE1, EPB41L2 MEN1 1152/4885KMT2A 4219/4885RIPK1 3555/4885

“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.

Send feedback