SCHEMBL1358005

SCHEMBL1358005

CCC(CC)N(C(=O)OCc1cc(OC)c(OC)cc1[N+](=O)[O-])C(CC)CC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 5/20 0.45
CYP2D6 P10635 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1357884 0.91 NPC1 (0.45) HTTNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL1357389 0.88 NPC1 (0.48) HTTNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL1357842 0.81 SMN1; SMN2 (0.47) HTTNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL1358601 0.81 SMN1; SMN2 (0.46) HTTNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL12856882 0.81 NPC1 (0.46) HTTNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL14733954 0.80 NPC1 (0.53) HTTNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL26661473 0.80 RAB9A (0.56) HTTNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL1357848 0.80 SMN1; SMN2 (0.46) HTTNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL13840140 0.79 RAB9A (0.52) HTTNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL4075702 0.79 SMN1; SMN2 (0.54) HTTNPC1RAB9ASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859186-B2 Polyimide precursor, resin composition comprising the polyimide precursor, pattern forming method using the resin composition, and articles produced by using the resin composition DAI NIPPON PRINTING CO., LTD. (JP) 2014-10-14 US disclosed
US-20110281218-A1 POLYIMIDE PRECURSOR, RESIN COMPOSITION COMPRISING THE POLYIMIDE PRECURSOR, PATTERN FORMING METHOD USING THE RESIN COMPOSITION, AND ARTICLES PRODUCED BY USING THE RESIN COMPOSITION DAI NIPPON PRINTING CO., LTD. (JP) 2011-11-17 US disclosed
US-20090263745-A1 POLYIMIDE PRECURSOR, RESIN COMPOSITION COMPRISING THE POLYIMIDE PRECURSOR, PATTERN FORMING METHOD USING THE RESIN COMPOSITION, AND ARTICLES PRODUCED BY USING THE RESIN COMPOSITION DAI NIPPON PRINTING CO., LTD. (JP) 2009-10-22 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-20090263745-A1 POLYIMIDE PRECURSOR, RESIN COMPOSITION COMPRISING THE POLYIMIDE PRECURSOR, PATTERN FORMING METHOD USING THE RESIN COMPOSITION, AND ARTICLES PRODUCED BY USING THE RESIN COMPOSITION TERB1, PUF60, CD79B HTT 2197/4885NPC1 4864/4885RAB9A 1051/4885

“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.