SCHEMBL30451447

SCHEMBL30451447

O=C(O)C(O)(c1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
CYP2C9 P11712 2/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 4/20 0.45
PTGS2 P35354 1/20 0.43
SLC13A5 Q86YT5 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 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
SCHEMBL29016950 1.00 KIF11 (0.51) KIF11CYP2C9NPC1RAB9AALDH1A1
SCHEMBL25689969 0.78 ALDH1A1 (0.50) KIF11CYP2C9NPC1RAB9AALDH1A1
SCHEMBL10441731 0.76 ALDH1A1 (0.51) KIF11NPC1RAB9AALDH1A1MAPK1
Benzylic Acid SCHEMBL7066 0.75 CYP2C9 (0.74) CYP2C9ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL27969667 0.75 ALDH1A1 (0.52) NPC1RAB9AALDH1A1MAPK1CTNNB1
SCHEMBL8175237 0.74 ALDH1A1 (0.50) KIF11NPC1RAB9AALDH1A1MAPK1
SCHEMBL7816281 0.74 KIF11 (0.44) KIF11CYP2C9NPC1RAB9AALDH1A1
SCHEMBL25716776 0.73 ALDH1A1 (0.49) KIF11CYP2C9NPC1RAB9AALDH1A1
Benzylic Acid SCHEMBL9568239 0.73 CYP2C9 (0.71) CYP2C9ALDH1A1SMN1; SMN2MAPTCYP1A2
Benzylic Acid SCHEMBL20957595 0.73 CYP2C9 (0.71) CYP2C9ALDH1A1SMN1; SMN2MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126017-A Preparation method of 3, 4-methylenedioxy-phenylglycolic acid 山东新和成药业有限公司 2024-06-04 CN claimed
CN-117143069-A Preparation method of 3, 4-methylenedioxy-phenylglycolic acid and piperonal 玉溪健坤生物药业有限公司 2023-12-01 CN claimed
CN-117143070-A Preparation method of piperonal 玉溪健坤生物药业有限公司 2023-12-01 CN claimed
CN-121775863-A Copper-manganese-silicon composite oxide catalyst and preparation method and application thereof 河南盛润新材料科技有限公司 2026-04-03 CN disclosed
US-20250388559-A1 PROCESS FOR THE SYNTHESIS OF PROTOCATECHUIC ALDEHYDE METHYLENE ETHER SONAVANE SACHIN (IN) 2025-12-25 US disclosed
CN-118126017-A Preparation method of 3, 4-methylenedioxy-phenylglycolic acid 山东新和成药业有限公司 2024-06-04 CN disclosed
CN-118126017-A Preparation method of 3, 4-methylenedioxy-phenylglycolic acid 山东新和成药业有限公司 2024-06-04 CN disclosed
CN-117143069-A Preparation method of 3, 4-methylenedioxy-phenylglycolic acid and piperonal 玉溪健坤生物药业有限公司 2023-12-01 CN disclosed
CN-117143070-A Preparation method of piperonal 玉溪健坤生物药业有限公司 2023-12-01 CN disclosed
CN-117143070-A Preparation method of piperonal 玉溪健坤生物药业有限公司 2023-12-01 CN disclosed
CN-117143069-A Preparation method of 3, 4-methylenedioxy-phenylglycolic acid and piperonal 玉溪健坤生物药业有限公司 2023-12-01 CN disclosed
CN-110862370-B Method and device for synthesizing 3, 4-methylenedioxy-phenylglycolic acid by enhancing emulsification 山东天大泰泽环保科技有限公司 2023-09-08 CN disclosed
CN-110862369-B Method and device for synthesizing 3, 4-methylenedioxy-phenylglycolic acid by improved emulsification 山东天大泰泽环保科技有限公司 2023-09-08 CN disclosed
CN-110684009-B Method and device for synthesizing 3, 4-methylenedioxy-phenylglycolic acid by centrifugal extraction 天津大学 2023-07-14 CN disclosed
CN-110684010-B Method and device for synthesizing 3, 4-methylenedioxy-mandelic acid by emulsification catalysis 天津大学 2023-06-23 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-20250388559-A1 PROCESS FOR THE SYNTHESIS OF PROTOCATECHUIC ALDEHYDE METHYLENE ETHER ADH1C, DDC, JMJD6 KIF11 3114/4885CYP2C9 1797/4885NPC1 3253/4885

“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.