SCHEMBL4097331

SCHEMBL4097331

C1=C(/C=C/c2ccccn2)COc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ATM Q13315 2/20 0.48
PTGS1 P23219 6/20 0.47
PTGS2 P35354 6/20 0.47
MAPT P10636 3/20 0.45
MAOB P27338 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NISCH Q9Y2I1 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GRM4 Q14833 1/20 0.37
ALOX5 P09917 1/20 0.35

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
SCHEMBL4097332 1.00 NPC1 (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL17705386 0.78 PTGS1 (0.51) NPC1RAB9AMEN1KMT2APTGS1
SCHEMBL2568148 0.72 PTGS1 (0.51) NPC1RAB9AMEN1KMT2APTGS1
SCHEMBL5541284 0.72 PTGS1 (0.48) NPC1RAB9AMEN1KMT2APTGS1
SCHEMBL29804937 0.72 PTGS1 (0.51) NPC1RAB9AMEN1KMT2APTGS1
SCHEMBL25420534 0.72 PTGS1 (0.48) NPC1RAB9AMEN1KMT2APTGS1
SCHEMBL31069501 0.70 NISCH (0.54) NPC1RAB9AKMT2AATMMAPT
SCHEMBL9640961 0.70 PTGS1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL29046892 0.70 PTGS1 (0.64) NPC1RAB9AMEN1KMT2APTGS1
SCHEMBL229328 0.70 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM

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-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB NPC1 19/4885RAB9A 4723/4885MEN1 3997/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NPC1 48/4885RAB9A 4606/4885MEN1 3163/4885

“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.