SCHEMBL20224665

SCHEMBL20224665

C[C@H](N[C@@H](CCc1ccccc1)OC=O)C(=O)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABCB11 O95342 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
MAPT P10636 2/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL18031743 0.81 ACE (0.53) ACELMNASMN1; SMN2ABCB11
SCHEMBL15158982 0.81 ACE (0.53) ACELMNASMN1; SMN2ABCB11
SCHEMBL20227445 0.80 ACE (0.67) ACELMNA
SCHEMBL16624673 0.79 ACE (0.56) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL19645413 0.78 ACE (0.69) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL31721186 0.73 ACE (0.63) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL13930194 0.71 ACE (0.52) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL23157166 0.71 NPC1 (0.55) SMN1; SMN2HPGDNPC1TDP1MAPT
SCHEMBL23157184 0.71 NPC1 (0.55) SMN1; SMN2HPGDNPC1TDP1MAPT
SCHEMBL26616529 0.70 SMN1; SMN2 (0.58) LMNASMN1; SMN2KMT2AHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155347-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PERILLYL ALCOHOL DERIVATIVES NEONC TECHNOLOGIES INC 2018-06-07 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 (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-20180155347-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PERILLYL ALCOHOL DERIVATIVES PLIN3, PLIN1, PLIN5 ACE 3411/4885LMNA 1820/4885SMN1; SMN2 3086/4885

“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.