SCHEMBL28888990

SCHEMBL28888990

COc1ccc(C[C@@H](CO)CC(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.55
MTNR1B P49286 5/20 0.55
LDHA P00338 1/20 0.52
ALOX15 P16050 2/20 0.43
ALOX12 P18054 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MMP1 P03956 2/20 0.42
CYP3A4 P08684 1/20 0.42
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
CA2 P00918 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
STAT3 P40763 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
SCHEMBL28888992 1.00 MTNR1A (0.55) MTNR1AMTNR1BLDHAALOX15ALOX12
SCHEMBL30008644 0.81 MTNR1A (0.54) MTNR1AMTNR1BLDHAALOX15ALOX12
SCHEMBL28959132 0.81 MTNR1A (0.54) MTNR1AMTNR1BLDHAALOX15ALOX12
SCHEMBL30008939 0.81 MTNR1A (0.54) MTNR1AMTNR1BLDHAALOX15ALOX12
SCHEMBL28888984 0.81 MTNR1A (0.54) MTNR1AMTNR1BLDHAALOX15ALOX12
SCHEMBL10728332 0.78 MTNR1A (0.74) MTNR1AMTNR1BLDHAALDH1A1NPC1
SCHEMBL9314227 0.77 LDHA (0.52) MTNR1AMTNR1BLDHAALOX15ALOX12
SCHEMBL8303478 0.77 LDHA (0.52) MTNR1AMTNR1BLDHAALOX15ALOX12
SCHEMBL345865 0.76 LDHA (0.57) LDHAALOX15ALOX12ALDH1A1NPC1
SCHEMBL10771141 0.76 LDHA (0.51) MTNR1AMTNR1BLDHAALOX15ALOX12

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-20250059219-A1 LIGNAN DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-02-20 US disclosed
CN-117440947-A Lignan derivative, preparation method and application thereof 中国科学院上海药物研究所 2024-01-23 CN disclosed
WO-2022222686-A1 LIGNAN DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2022-10-27 WO disclosed
CN-115215821-A Lignan derivative, preparation method and application thereof 中国科学院上海药物研究所 2022-10-21 CN 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-20250059219-A1 LIGNAN DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF HADHA, HADHB, HADH MTNR1A 1255/4885MTNR1B 1278/4885LDHA 165/4885

“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.