SCHEMBL30850226

SCHEMBL30850226

CC(O)CCOC(=O)c1ccccc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
TSHR P16473 7/20 0.53
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP3A4 P08684 3/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL4078490 1.00 ALDH1A1 (0.54) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL11674441 0.93 ALDH1A1 (0.61) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL29849624 0.91 TSHR (0.57) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL7059436 0.89 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
Ethane SCHEMBL28902205 0.87 ALDH1A1 (0.57) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL7760886 0.86 ALDH1A1 (0.53) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6832067 0.86 ALDH1A1 (0.53) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
Phthalic Acid SCHEMBL4078493 0.85 ALDH1A1 (0.54) ALDH1A1TSHRTDP1TP53LMNA
SCHEMBL27908787 0.84 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL8372971 0.84 TDP1 (0.65) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119715852-A Method for detecting phthalic acid monoester compound residues in crop planting environment samples 北京师范大学 2025-03-28 CN claimed
CN-117805284-B Method for simultaneously detecting multiple precocious biomarkers 裕菁科技(上海)有限公司 2025-02-25 CN claimed
CN-117849228-A Biomarker for screening early sexual precocity and application thereof 裕菁科技(上海)有限公司 2024-04-09 CN claimed
CN-117805284-A Method for simultaneously detecting multiple precocious biomarkers 裕菁科技(上海)有限公司 2024-04-02 CN claimed
CN-119715852-A Method for detecting phthalic acid monoester compound residues in crop planting environment samples 北京师范大学 2025-03-28 CN disclosed
CN-117805284-B Method for simultaneously detecting multiple precocious biomarkers 裕菁科技(上海)有限公司 2025-02-25 CN disclosed
CN-117849228-A Biomarker for screening early sexual precocity and application thereof 裕菁科技(上海)有限公司 2024-04-09 CN disclosed
CN-117805284-A Method for simultaneously detecting multiple precocious biomarkers 裕菁科技(上海)有限公司 2024-04-02 CN disclosed