SCHEMBL23712362

SCHEMBL23712362

CCCCC1COCCN1CCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 3/20 0.34
S1PR5 Q9H228 3/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PKM P14618 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
S1PR4 O95977 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
GBA2 Q9HCG7 4/20 0.31
UGCG Q16739 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
SCHEMBL20298897 0.94 S1PR1 (0.41) PDK1ALDH1A1S1PR1S1PR3S1PR5
SCHEMBL22026830 0.94 S1PR1 (0.41) PDK1ALDH1A1S1PR1S1PR3S1PR5
SCHEMBL824959 0.94 S1PR1 (0.41) PDK1ALDH1A1S1PR1S1PR3S1PR5
SCHEMBL824956 0.94 S1PR1 (0.41) PDK1ALDH1A1S1PR1S1PR3S1PR5
SCHEMBL824837 0.90 PDK1 (0.39) PDK1KDM4EALDH1A1PDK2PDK3
SCHEMBL7026663 0.88 S1PR1 (0.36) PDK1POLBHPGDS1PR1S1PR3
Delmopinol SCHEMBL120704 0.87 PDK1 (0.33) PDK1KDM4EALDH1A1PDK2PDK3
Delmopinol SCHEMBL20298306 0.87 PDK1 (0.33) PDK1KDM4EALDH1A1PDK2PDK3
SCHEMBL22996340 0.86 ALDH1A1 (0.47) KDM4EALDH1A1S1PR1S1PR3S1PR5
Delmopinol SCHEMBL23705764 0.86 PDK1 (0.33) PDK1PDK2PDK3

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-11780818-B2 Methods of making delmopinol and salts thereof YOU FIRST SERVICES, INC. (US) 2023-10-10 US disclosed
WO-2023183872-A1 DELMOPINOL AND DELMOPINOL SALT CONTAINING NANOPARTICLES AND USES THEREOF YOU FIRST SERVICES, INC. (US) 2023-09-28 WO disclosed
WO-2021155350-A1 METHODS OF MAKING DELMOPINOL AND SALTS THEREOF YOU FIRST SERVICES, INC. (US) 2021-08-05 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 (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-11780818-B2 Methods of making delmopinol and salts thereof MEN1, NR3C2, AVPR2 PDK1 2417/4885POLB 4611/4885HPGD 1961/4885

“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.