SCHEMBL26327764

SCHEMBL26327764

CCCOC(=O)C(C(=O)OCCC)N(c1cc(C)c(OC)c(C)c1)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 1/20 0.35
PTAFR P25105 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PDE4B Q07343 1/20 0.34
DRD2 P14416 2/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL20565056 0.83 ALDH1A1 (0.33) MEN1KMT2APKMALDH1A1PDE4B
SCHEMBL26327758 0.80 ALDH1A1 (0.37) MEN1KMT2AALDH1A1TSHR
SCHEMBL26328011 0.79 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2TAS1R3
SCHEMBL26327751 0.79 CHRM2 (0.43) MEN1KMT2APKMALDH1A1TSHR
SCHEMBL26327769 0.78 CHRM2 (0.44) MEN1KMT2APKMALDH1A1TSHR
SCHEMBL26327651 0.73 LMNA (0.44) ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL26328040 0.68 ADH1A (0.38) MEN1KMT2AALDH1A1TSHR
SCHEMBL26327648 0.67 ADH1A (0.37) MEN1KMT2AALDH1A1TSHR
SCHEMBL26327654 0.67 TDP1 (0.40) TDP1
SCHEMBL26328016 0.65 HTT (0.35) ALDH1A1TSHRHTTSMN1; SMN2TDP1

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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 MEN1 296/4885KMT2A 127/4885PKM 2653/4885

“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.