SCHEMBL24435472

SCHEMBL24435472

O=C(O)[C@H]1CCCN1c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CMA1 P23946 1/20 0.45
ALDH1A1 P00352 10/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 2/20 0.43
MMP1 P03956 1/20 0.43
MMP7 P09237 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
USP2 O75604 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL24435471 0.84 NPC1 (0.47) TSHRCMA1ALDH1A1KMT2AHPGD
SCHEMBL21136258 0.76 ALDH1A1 (0.47) CMA1ALDH1A1KMT2A
SCHEMBL20533940 0.76 ALDH1A1 (0.47) CMA1ALDH1A1KMT2A
SCHEMBL20533939 0.76 ALDH1A1 (0.47) CMA1ALDH1A1KMT2A
SCHEMBL9308869 0.76 ALDH1A1 (0.58) TSHRALDH1A1HPGDMAPK1CYP1A2
SCHEMBL6222847 0.75 MEN1 (0.58) TSHRCMA1ALDH1A1KMT2AMEN1
SCHEMBL3560068 0.75 MEN1 (0.58) TSHRCMA1ALDH1A1KMT2AMEN1
SCHEMBL8312600 0.74 NOTUM (0.49) TSHRCMA1ALDH1A1KMT2AHPGD
SCHEMBL25262222 0.74 TDP1 (0.45) ALDH1A1KMT2AHSD17B10MAPT
SCHEMBL2942976 0.74 MAPT (0.43) ALDH1A1HPGDCYP1A2CYP2C19MAPT

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-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 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-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G TSHR 2467/4885CMA1 626/4885ALDH1A1 4817/4885

“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.