SCHEMBL25440264

SCHEMBL25440264

CC(C)OC(=O)C(C(=O)OC(C)C)N(c1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.43
NPY5R Q15761 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
NPY2R P49146 1/20 0.41
SRD5A2 P31213 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL25439886 0.98 ALOX5 (0.45) ALOX5PTGS1NPY5RSMN1; SMN2ACACB
SCHEMBL20564588 0.90 ALOX5 (0.41) ALOX5PTGS1NPY5RSMN1; SMN2ACACB
SCHEMBL25440144 0.89 TSHR (0.44) ALOX5SMN1; SMN2ALDH1A1KMT2A
SCHEMBL26324957 0.86 PTGS1 (0.41) ALOX5PTGS1NPY5RSMN1; SMN2ACACB
SCHEMBL25439798 0.85 TRPM8 (0.40) ALOX5SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL25439854 0.85 PDCD1 (0.53) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL26324995 0.84 PTGS1 (0.42) ALOX5PTGS1NPY5RSMN1; SMN2ACACB
SCHEMBL25440154 0.83 PDCD1 (0.54) SMN1; SMN2
SCHEMBL25440240 0.81 KMT2A (0.40) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL26327814 0.80 LTA4H (0.44) NPY5RSMN1; SMN2MAPK1ALDH1A1KMT2A

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 ALOX5 2561/4885PTGS1 4470/4885NPY5R 2756/4885

“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.