SCHEMBL7203140

SCHEMBL7203140

C=CCN1C(=O)C1CCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
ELANE P08246 1/20 0.33
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 2/20 0.32
FPR1 P21462 1/20 0.32
HTT P42858 1/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7192019 0.76 GAA (0.50) CYP3A4ALDH1A1MAPTKDM4EMEN1
SCHEMBL7194468 0.76 GAA (0.41) CYP3A4ALDH1A1MAPTKDM4EMEN1
SCHEMBL1358142 0.75 L3MBTL1 (0.41) CYP3A4ALDH1A1MAPTKDM4EMEN1
SCHEMBL3806103 0.75 GBA1 (0.46) MMP1MMP3MMP9ELANEGAA
SCHEMBL9017626 0.73 GBA1 (0.49) CYP3A4ALDH1A1HPGDMMP1MMP3
SCHEMBL9017602 0.73 GBA1 (0.49) CYP3A4ALDH1A1HPGDMMP1MMP3
SCHEMBL35761 0.73 ALDH1A1 (0.36) CYP3A4ALDH1A1MAPTKDM4EMEN1
Methyl Alcohol SCHEMBL5460389 0.70 ELANE (0.37) CYP3A4ALDH1A1MAPTKDM4EMEN1
SCHEMBL27969155 0.69 FAAH (0.32) ALDH1A1L3MBTL1
SCHEMBL818514 0.69

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-6639093-B2 Reacting benzyl chloride with hydroxybenzoic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 2003-03-20 US disclosed
EP-1249443-A2 Process for the production of hydroxybenzoic acid benzyl esters BAYER AG (DE) 2002-10-16 EP 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-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, HACL2 CYP3A4 87/4885ALDH1A1 405/4885MAPT 4176/4885

“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.