SCHEMBL26324928

SCHEMBL26324928

CC(C)OC(=O)C(C(C)C)N(c1ccccc1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 3/20 0.37
TRPM8 Q7Z2W7 3/20 0.36
ATM Q13315 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
CHRM2 P08172 2/20 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
SCHEMBL26324931 0.99 KDM4E (0.41) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL26324875 0.94 TRPM8 (0.36) SMN1; SMN2LMNATRPM8CHRM2CHRM1
SCHEMBL26324926 0.88 POLB (0.37) ALDH1A1NPC1RAB9ALMNATRPM8
SCHEMBL20565352 0.86 KDM4E (0.40) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL25439978 0.85 MEN1 (0.43) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL26324885 0.82 CHRNA1 (0.35) KDM4EMEN1ALDH1A1KMT2ALMNA
SCHEMBL26324933 0.82 TSHR (0.34) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL26324929 0.81 GPR119 (0.50) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL20564728 0.80 TSHR (0.38) SMN1; SMN2LMNATRPM8CHRM2CHRM1
SCHEMBL26324800 0.76 TSHR (0.42) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2

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 KDM4E 1342/4885MEN1 296/4885ALDH1A1 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.