SCHEMBL4860728

SCHEMBL4860728

CC(C)c1ccc(CCC=NO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FAAH O00519 1/20 0.38
FKBP1A P62942 1/20 0.38
CYP2C9 P11712 1/20 0.37
RAB9A P51151 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MAOB P27338 1/20 0.36
TYR P14679 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
SCHEMBL4860721 1.00 IDO1 (0.40) IDO1ALDH1A1L3MBTL1FAAHFKBP1A
SCHEMBL363987 0.79 CYP1A2 (0.45) IDO1ALDH1A1L3MBTL1CYP2C9RAB9A
SCHEMBL22776005 0.79 HTR3E (0.46) IDO1ALDH1A1L3MBTL1CYP2C9RAB9A
SCHEMBL4860736 0.79 LPL (0.45) ALDH1A1L3MBTL1CYP2C9RAB9ANPC1
SCHEMBL10729588 0.75 IDO1 (0.56) IDO1ALDH1A1L3MBTL1FKBP1ARAB9A
SCHEMBL869709 0.75 TYR (0.48) IDO1ALDH1A1L3MBTL1FKBP1ARAB9A
SCHEMBL7991942 0.75 TAAR1 (0.45) IDO1
SCHEMBL1612433 0.75 IDO1 (0.44) IDO1ALDH1A1L3MBTL1FKBP1ARAB9A
SCHEMBL933030 0.75 TYR (0.48) IDO1ALDH1A1L3MBTL1FKBP1ARAB9A
Hydrogen Peroxide SCHEMBL9456368 0.74 ALDH1A1 (0.45) IDO1ALDH1A1L3MBTL1FKBP1ARAB9A

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 IDO1 2630/4885ALDH1A1 543/4885L3MBTL1 1898/4885
US-20040043916-A1 Oxime methyl ethers OR51E2, COXFA4L2, OR10J3 IDO1 2630/4885ALDH1A1 543/4885L3MBTL1 1898/4885

“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.