SCHEMBL17960610

SCHEMBL17960610

CC(C)N(C(=O)n1c(P(C(C)C)C(C)C)nc2ccccc21)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ CNR2 P34972 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALOX5AP P20292 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL16596919 0.84 LMNA (0.52) LMNAALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL17975232 0.84 KMT2A (0.48) LMNAALDH1A1KMT2ASMN1; SMN2CNR2
SCHEMBL16596922 0.83 LMNA (0.48) LMNAALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL16586347 0.83 LMNA (0.48) LMNAALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL16596946 0.80 LMNA (0.45) LMNAALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL16596917 0.79 ALDH1A1 (0.50) LMNAALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL17960575 0.79 PTGES (0.35) LMNAALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL3588982 0.74 ALDH1A1 (0.56) LMNAALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL13140450 0.72 SMN1; SMN2 (0.53) LMNAALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL17960722 0.69 MGAM (0.37) LMNAALDH1A1KMT2ASMN1; SMN2NPSR1

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-10093692-B2 Phosphines, synthesis thereof and their use in catalysis THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2018-10-09 — — US claimed
US-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2016-08-04 — — US claimed
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

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 LMNA 4653/4885ALDH1A1 3824/4885KMT2A 1445/4885
US-10093692-B2 Phosphines, synthesis thereof and their use in catalysis PPIP5K2, PHOSPHO1, ITPA LMNA 4529/4885ALDH1A1 3683/4885KMT2A 1414/4885

“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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