SCHEMBL24306397

SCHEMBL24306397

COC(=O)c1ccc2c(c1)NC(=O)C1(CCCCC1)O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.43
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.39
FGB P02675 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL24306807 0.99 ALOX5 (0.52) ALOX5ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL24306812 0.96 ALOX5 (0.52) ALOX5ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL30035530 0.94 ALOX5 (0.54) ALOX5ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL8004920 0.94 ALOX5 (0.54) ALOX5ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL24307068 0.89 ALOX5 (0.50) ALOX5ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL24306786 0.86 ALOX5 (0.52) ALOX5ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL24306851 0.86 ALOX5 (0.52) ALOX5ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL24306342 0.86 ALOX5 (0.52) ALOX5ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL24307094 0.85 ALOX5 (0.51) ALOX5ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL24307595 0.85 ALOX5 (0.51) ALOX5ALDH1A1KDM4ESMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-11-16 US disclosed
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-11-16 US disclosed
EP-4219461-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF Medshine Discovery Inc. (CN) 2023-08-02 EP disclosed
WO-2022063094-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF 南京明德新药研发有限公司 2022-03-31 WO 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-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF CYP3A7, UGT2B7, SFPQ ALOX5 2582/4885ALDH1A1 1495/4885KDM4E 2152/4885

“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.