SCHEMBL10160825

SCHEMBL10160825

CCC(C)(C)C(=O)Nc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4C)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.40
▸ S1PR4 O95977 2/20 0.40
▸ S1PR1 P21453 2/20 0.40
▸ S1PR3 Q99500 2/20 0.40
▸ S1PR5 Q9H228 2/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NOX1 Q9Y5S8 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ ABCC9 O60706 2/20 0.38
▸ ABCC8 Q09428 2/20 0.38
▸ KCNJ11 Q14654 2/20 0.38
▸ KCNJ8 Q15842 2/20 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
SCHEMBL13020931 0.90 MEN1 (0.47) S1PR4S1PR1S1PR3S1PR5MEN1
SCHEMBL12037517 0.86 MEN1 (0.50) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL10025412 0.84 CYP3A4 (0.42) S1PR4S1PR1S1PR3S1PR5MEN1
SCHEMBL12863539 0.81 S1PR4 (0.54) S1PR4S1PR1S1PR3S1PR5MEN1
SCHEMBL13926411 0.77 ENPP2 (0.37) NPC1RAB9ARIPK1
SCHEMBL19102572 0.76 CYP3A4 (0.43) MEN1KMT2ALMNATDP1HDAC6
SCHEMBL31390117 0.76 CYP3A4 (0.43) MEN1KMT2ALMNATDP1HDAC6
SCHEMBL16324036 0.76 CYP3A4 (0.43) MEN1KMT2ALMNATDP1HDAC6
SCHEMBL750651 0.75 RIPK1 (0.59) MEN1KMT2ANPC1RAB9ARIPK1
SCHEMBL73930 0.75 CYP3A4 (0.40) MEN1KMT2ALMNATDP1HDAC6

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-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER IDEMITSU KOSAN CO., LTD. 2012-01-26 — — US disclosed
US-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER IDEMITSU KOSAN CO., LTD. 2012-01-26 — — 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-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER EPB41, EPB41L2, AR NPSR1 3545/4885S1PR4 3391/4885S1PR1 3799/4885

“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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