SCHEMBL4803986

SCHEMBL4803986

Cc1cccc(C)c1CC(=O)c1cccn1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 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
SCHEMBL28703128 0.84 MAOB (0.47) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL5133901 0.83 MAOB (0.46) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL29797867 0.76 NPC1 (0.56) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL15197232 0.75 SMN1; SMN2 (0.47) MAOBRAB9ASMN1; SMN2KMT2AHSD17B10
SCHEMBL8392453 0.74 MAOB (0.57) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL14757597 0.74 MAOB (0.57) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL28716485 0.73 MAOB (0.46) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL6834190 0.73 MAOB (0.56) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL3926765 0.73 MAOB (0.56) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL257536 0.72 SMN1; SMN2 (0.44) MAOBNPC1RAB9ASMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US claimed
CN-101184711-A Nucleophilic heterocyclic carbene derivatives of pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-05-21 CN claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US claimed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 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-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 MAOB 665/4885NPC1 3414/4885RAB9A 1731/4885

“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.