SCHEMBL4166708

SCHEMBL4166708

C=C(C(=O)OC)C(CCC)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 3/20 0.32
TRPV1 Q8NER1 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL7192903 0.83 CHRM1 (0.35) ALDH1A1TSHRCHRM1AKR1A1CHRM3
SCHEMBL28035109 0.79 ALDH1A1 (0.37) ALDH1A1TSHRCA1CA2HDAC7
SCHEMBL15945448 0.79 CA1 (0.42) ALDH1A1TSHRTRPV1CA1CA2
SCHEMBL28046131 0.77 TSHR (0.34) ALDH1A1TSHRTRPV1CHRM1AKR1A1
SCHEMBL7126340 0.76 ALDH1A1 (0.46) ALDH1A1TSHRTRPV1HDAC7HDAC8
SCHEMBL2465319 0.76 ALDH1A1 (0.46) ALDH1A1TSHRTRPV1HDAC7HDAC8
SCHEMBL17323727 0.76 TSHR (0.40) ALDH1A1TSHRTRPV1HDAC7HDAC8
SCHEMBL23779944 0.74 CHRM1 (0.46) TSHRCA2CHRM1AKR1A1CHRM3
SCHEMBL5859582 0.74 CHRM1 (0.46) TSHRCA2CHRM1AKR1A1CHRM3
SCHEMBL27847759 0.73 ALDH1A1 (0.39) ALDH1A1TSHRCHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118930602-A Method for performing terminal allylation modification on natural amino acid or polypeptide 南京工业大学 2024-11-12 CN disclosed
CN-115806488-A Method for ring-opening allylation of cycloalkanol 南京工业大学 2023-03-17 CN disclosed
US-20090131707-A1 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2009-05-21 US disclosed
US-7452999-B2 Chemical process for the preparation of intermediates to obtain N-formyl hydroxy-lamine compounds NOVARTIS AG (CH) 2008-11-18 US disclosed
US-20070179298-A1 Chemical process for the preparation of intermediates to obtain n-formyl hydroxy-lamine compounds NOVARTIS AG (CH) 2007-08-02 US disclosed
EP-1599440-A2 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS Novartis AG (CH) 2005-11-30 EP disclosed
WO-2004076053-A2 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2004-09-10 WO 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-20090131707-A1 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS HAO2, HAO1, HAAO ALDH1A1 575/4885TSHR 4081/4885TRPV1 4460/4885
US-20070179298-A1 Chemical process for the preparation of intermediates to obtain n-formyl hydroxy-lamine compounds HAO1, LMNA, HAO2 ALDH1A1 765/4885TSHR 4123/4885TRPV1 4610/4885

“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.