SCHEMBL26324953

SCHEMBL26324953

Cc1ccc(N(c2cccc(C)c2)C(C(=O)OC(C)C)C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.40
HSD17B2 P37059 5/20 0.40
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLQ O75417 1/20 0.35
MAPK1 P28482 1/20 0.34
TP53 P04637 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
GPX4 P36969 1/20 0.34
PAX8 Q06710 1/20 0.34
ELANE P08246 1/20 0.33

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
SCHEMBL26324940 0.89 TRPM8 (0.39) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL26324999 0.89 ALOX5 (0.37) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL25440267 0.86 HSD17B1 (0.42) HSD17B1HSD17B2ALDH1A1MAPTMEN1
SCHEMBL26324800 0.81 TSHR (0.42) ALDH1A1MAPTHTTKMT2ANPSR1
SCHEMBL26324980 0.80 PDCD1 (0.39) HSD17B1HSD17B2MAPTHTTKMT2A
SCHEMBL26324996 0.80 ALDH1A1 (0.37) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL26324981 0.79 MEN1 (0.38) MAPTMEN1KMT2ANPSR1MAPK1
SCHEMBL26325013 0.78 PDCD1 (0.44) MAPTRAB9ANPC1
SCHEMBL26324955 0.78 PDCD1 (0.50) MAPTRAB9ANPC1
SCHEMBL26325014 0.76 PDCD1 (0.51) MAPTRAB9ANPC1

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 HSD17B1 4720/4885HSD17B2 4306/4885ALDH1A1 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.