SCHEMBL26327935

SCHEMBL26327935

CCCOC(=O)C(C(=O)OCCC)N(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
ALOX5 P09917 1/20 0.37
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL26327800 0.94 LMNA (0.45) ALDH1A1KMT2ALMNAMAPTCHRM1
SCHEMBL26327831 0.89 ALDH1A1 (0.41) RAB9AALDH1A1MEN1KMT2ALMNA
SCHEMBL26327939 0.85 MEN1 (0.44) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL26325985 0.85 LMNA (0.51) ALDH1A1KMT2ALMNATSHRCHRM1
SCHEMBL26327837 0.84 TP53 (0.43) POLBRAB9AALDH1A1MEN1KMT2A
SCHEMBL26327860 0.83 MEN1 (0.39) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL26327977 0.83 LMNA (0.46) RAB9AALDH1A1LMNAMAPTL3MBTL1
SCHEMBL26327948 0.83 TAS1R3 (0.39) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL26327819 0.81 LMNA (0.45) RAB9AALDH1A1LMNAMAPTL3MBTL1
SCHEMBL26327958 0.80 LTA4H (0.45) RAB9AALDH1A1KMT2ALMNAMAPT

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 POLB 776/4885RAB9A 1447/4885ALDH1A1 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.