SCHEMBL21116937

SCHEMBL21116937

CC(C)CCC(C)(C)OCCC(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL24279280 0.89 MEN1 (0.35) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL14287347 0.85 MEN1 (0.35) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL20463326 0.85 MEN1 (0.35) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL19147849 0.83 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21947606 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL24063006 0.80 ALDH1A1 (0.33) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL21549748 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21126662 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL18427379 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20953700 0.79 ALDH1A1 (0.31) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210388196-A1 GENE DELIVERY CARRIER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-12-16 US disclosed
US-20190194390-A1 AMINO-POLYESTERS FOR DRUG DELIVERY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2019-06-27 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 (2 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-20210388196-A1 GENE DELIVERY CARRIER PAICS, PBDC1, BCAT1 ALDH1A1 2765/4885MEN1 3571/4885CYP3A4 4399/4885
US-20190194390-A1 AMINO-POLYESTERS FOR DRUG DELIVERY DNPEP, NPEPPS, ANPEP ALDH1A1 1113/4885MEN1 4025/4885CYP3A4 2242/4885

“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.