SCHEMBL17228550

SCHEMBL17228550

C=C(/C(C)=C(C)\C=C/NC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ EGFR P00533 2/20 0.31
▸ MAOA P21397 3/20 0.31
▸ MAOB P27338 3/20 0.31
▸ TDP1 Q9NUW8 3/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ ATM Q13315 2/20 0.30
▸ AKT1 P31749 1/20 0.30
▸ MAPT P10636 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL17177624 0.79 MAOA (0.37) ALDH1A1SMN1; SMN2MAOAMAOBKDM4E
SCHEMBL15290744 0.74 ACMSD (0.31) KDM4E
SCHEMBL15290752 0.72 MAOA (0.33) NPSR1ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL15290756 0.72 MEN1 (0.33) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL19936387 0.69 TDP1 (0.40) NPSR1ALDH1A1MAOAMAOBTDP1
SCHEMBL21745877 0.69 MAOA (0.33) NPSR1ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL14141387 0.68 PKM (0.38) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL4756877 0.68 NPC1 (0.63) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL6308174 0.68 NPC1 (0.63) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL7739379 0.68 NPC1 (0.63) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160049599-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-02-18 — — US disclosed
US-20150315222-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-11-05 — — 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-20160049599-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SRSF6, SRSF1, DBF4 NPC1 3849/4885RAB9A 1930/4885NPSR1 616/4885
US-20150315222-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, SSB, RPS4X NPC1 4462/4885RAB9A 842/4885NPSR1 996/4885

“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.

Send feedback