SCHEMBL16596915

SCHEMBL16596915

CCN(CC)C(=O)n1c(P(C2CCCCC2)C2CCCCC2)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.46
▸ P2RX4 Q99571 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ CNR2 P34972 3/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ HIF1A Q16665 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
SCHEMBL16596946 0.87 LMNA (0.45) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL17975238 0.85 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL15921010 0.73 LMNA (0.51) SMN1; SMN2KMT2AMEN1MAPK1LMNA
SCHEMBL16596914 0.71 KMT2A (0.49) HTTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL16596919 0.71 LMNA (0.52) HTTALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL16596945 0.69 PTGES (0.41) HTTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL13502463 0.68 ALDH1A1 (0.55) HTTP2RX4ALDH1A1SMN1; SMN2TSHR
SCHEMBL16596912 0.68 PTGES (0.42) HTTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL17960610 0.67 LMNA (0.50) HTTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL17975236 0.67 PTGES (0.39) HTTALDH1A1SMN1; SMN2TSHRKMT2A

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-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
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 HTT 4681/4885P2RX4 965/4885ALDH1A1 3824/4885
US-10093692-B2 Phosphines, synthesis thereof and their use in catalysis PPIP5K2, PHOSPHO1, ITPA HTT 4539/4885P2RX4 1105/4885ALDH1A1 3683/4885

“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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