SCHEMBL16596879

SCHEMBL16596879

CC(C)N(C(=O)n1cnc2ccccc21)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ HPGD P15428 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ APAF1 O14727 1/20 0.49
▸ ASAH1 Q13510 5/20 0.48
▸ HTT P42858 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ STAT6 P42226 1/20 0.47
▸ DNMT3A Q9Y6K1 1/20 0.46
▸ BCHE P06276 1/20 0.44

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
SCHEMBL29145166 0.86 SMN1; SMN2 (0.67) SMN1; SMN2HPGDHSD17B10NPC1ALDH1A1
SCHEMBL2184004 0.83 SMN1; SMN2 (0.72) SMN1; SMN2HPGDHSD17B10NPC1ALDH1A1
SCHEMBL29145140 0.81 SMN1; SMN2 (0.64) SMN1; SMN2HPGDHSD17B10NPC1ALDH1A1
SCHEMBL29145086 0.80 SMN1; SMN2 (0.59) SMN1; SMN2HPGDHSD17B10NPC1ALDH1A1
SCHEMBL24110380 0.78 SMN1; SMN2 (0.61) SMN1; SMN2HPGDHSD17B10NPC1ALDH1A1
SCHEMBL24110361 0.78 SMN1; SMN2 (0.61) SMN1; SMN2HPGDHSD17B10NPC1ALDH1A1
SCHEMBL24110389 0.78 SMN1; SMN2 (0.61) SMN1; SMN2HPGDHSD17B10NPC1ALDH1A1
SCHEMBL427076 0.78 SMN1; SMN2 (1.00) SMN1; SMN2HPGDHSD17B10NPC1ALDH1A1
SCHEMBL3078847 0.78 SMN1; SMN2 (0.59) SMN1; SMN2HPGDHSD17B10NPC1ALDH1A1
SCHEMBL30723151 0.77 SMN1; SMN2 (0.73) SMN1; SMN2HPGDHSD17B10NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430738-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 — — CN claimed
CN-117430737-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 — — CN claimed
CN-117430738-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 — — CN disclosed
CN-117430737-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 — — CN disclosed
US-10093692-B2 Phosphines, synthesis thereof and their use in catalysis THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2018-10-09 — — US disclosed
US-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2016-08-04 — — US disclosed
US-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2016-08-04 — — US disclosed
WO-2015039606-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2015-03-26 — — WO 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-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS PHOSPHO1, PPIP5K2, PDXK SMN1; SMN2 4585/4885HPGD 2559/4885HSD17B10 4157/4885
US-10093692-B2 Phosphines, synthesis thereof and their use in catalysis PPIP5K2, PHOSPHO1, ITPA SMN1; SMN2 4251/4885HPGD 2328/4885HSD17B10 4037/4885

“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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