SCHEMBL26327671

SCHEMBL26327671

CCCCN(c1ccc(C)cc1)C(C(=O)OCCC)C(=O)OCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 6/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.35
KCNH2 Q12809 2/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL26327677 0.87 GAA (0.40) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL26327664 0.87 LMNA (0.45) MEN1KMT2AALDH1A1RAB9AMAPK1
SCHEMBL25439783 0.84 RAB9A (0.35) MEN1KMT2AALDH1A1RAB9APOLB
SCHEMBL26327935 0.80 POLB (0.40) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL26327713 0.80 PPARG (0.41) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL26327699 0.80 HDAC3 (0.33) ALDH1A1RAB9ANPC1TP53GPX4
SCHEMBL26327702 0.80 ESR1 (0.34) SMN1; SMN2LMNAKCNH2CYP1A2CHRM2
SCHEMBL26327670 0.78 ALDH1A1 (0.44) MEN1KMT2AALDH1A1RAB9AMAPK1
SCHEMBL26327694 0.77 TAS1R3 (0.40) ALDH1A1RAB9AMAPK1POLBKDM4E
SCHEMBL26327800 0.75 LMNA (0.45) KMT2AALDH1A1MAPTSMN1; SMN2LMNA

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 127/4885ALDH1A1 1805/4885

“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.