SCHEMBL4860736

SCHEMBL4860736

CCCc1ccc(CCC=NO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
THRB P10828 2/20 0.43
PLK1 P53350 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CA2 P00918 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
MGLL Q99685 1/20 0.36
POLB P06746 2/20 0.36
CTDSP1 Q9GZU7 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL363987 0.83 CYP1A2 (0.45) ALDH1A1NPC1MAPTRAB9AL3MBTL1
SCHEMBL7991942 0.79 TAAR1 (0.45) KMT2APOLBCTDSP1
SCHEMBL27804585 0.79 TAAR1 (0.45) PTGS1PTGS2
SCHEMBL22776005 0.79 HTR3E (0.46) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL4860728 0.79 IDO1 (0.40) ALDH1A1NPC1MAPTRAB9AL3MBTL1
SCHEMBL28708879 0.79 CALM1 (0.50) ALDH1A1KDM4ECYP3A4TP53
SCHEMBL4860721 0.79 IDO1 (0.40) ALDH1A1NPC1MAPTRAB9AL3MBTL1
SCHEMBL5663286 0.78 TDP1 (0.46) ALDH1A1MAPTCA2L3MBTL1POLB
SCHEMBL368055 0.78 TDP1 (0.46) ALDH1A1MAPTCA2L3MBTL1POLB
SCHEMBL368054 0.78 TDP1 (0.46) ALDH1A1MAPTCA2L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449434-B2 Oxime methyl ethers INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2008-11-11 US disclosed
US-7015189-B2 Oxime methyl ethers INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2006-03-21 US disclosed
US-20050282728-A1 Oxime methyl ethers INTERNATIONAL FLAVORS & FRAGRANC... 2005-12-22 US disclosed
US-20040043916-A1 Oxime methyl ethers INTERNATIONAL FLAVORS & FRAGRANCES INC. 2004-03-04 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 (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-20050282728-A1 Oxime methyl ethers OR51E2, COXFA4L2, OR10J3 LPL 3184/4885LIPG 1261/4885THRB 2318/4885
US-20040043916-A1 Oxime methyl ethers OR51E2, COXFA4L2, OR10J3 LPL 3184/4885LIPG 1261/4885THRB 2318/4885

“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.