SCHEMBL17975233

SCHEMBL17975233

CC(=O)n1c(P(C(C)(C)C)C(C)(C)C)nc2cc(C)c(C)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GFER P55789 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL17960724 0.82 PTGES (0.36) KDM4EMAPTKMT2AMEN1HTT
SCHEMBL17975240 0.79 SMN1; SMN2 (0.37) KDM4EMAPTKMT2AMEN1HTT
SCHEMBL17975243 0.77 KMT2A (0.44) KDM4EMAPTKMT2AHTTSMN1; SMN2
SCHEMBL17975242 0.75 MGAM (0.41) KDM4EMAPTKMT2AMEN1HTT
SCHEMBL17975244 0.74 PTGES (0.39) KDM4EMAPTKMT2AMEN1HTT
SCHEMBL17960575 0.64 PTGES (0.35) KDM4EMAPTKMT2AMEN1HTT
SCHEMBL17975239 0.64 SMN1; SMN2 (0.60) KDM4EMAPTKMT2AMEN1HTT
SCHEMBL2795120 0.62 BRD4 (0.39) KDM4EMAPTKMT2AMEN1HTT
SCHEMBL15294677 0.61 BRD4 (0.34) KDM4EMAPTKMT2AMEN1HTT
SCHEMBL19911450 0.60 GAA (0.62) KDM4ESMN1; SMN2ALDH1A1HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS PHOSPHO1, PPIP5K2, PDXK KDM4E 2616/4885MAPT 4670/4885KMT2A 1445/4885

“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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