SCHEMBL138875

SCHEMBL138875

O=C(O)Cc1ccc2c(c1)OCO2

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.75
ALDH1A1 P00352 2/20 0.75
CYP1A2 P05177 1/20 0.75
CYP2C19 P33261 1/20 0.75
RAB9A P51151 2/20 0.66
AGBL2 Q5U5Z8 1/20 0.58
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
CMA1 P23946 1/20 0.53
CYP2D6 P10635 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
SLC6A4 P31645 1/20 0.51

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
SCHEMBL29642680 1.00 CYP3A4 (0.75) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL3944098 1.00 CYP3A4 (0.75) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
Hydrochloric Acid SCHEMBL8838333 0.98 CYP3A4 (0.73) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL7332204 0.98 CYP3A4 (0.73) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL2957608 0.92 CYP3A4 (0.65) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
Piperonylic Acid SCHEMBL3936749 0.91 ALDH1A1 (0.73) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL286952 0.89 ALDH1A1 (0.60) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL7148530 0.87 CYP3A4 (0.72) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL13802498 0.86 RAB9A (0.63) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL31114377 0.86 CYP3A4 (1.00) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A

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 956 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12593844-B2 Method and compounds to induce plant tolerance against arthropod pests VIB VZW (BE) 2026-04-07 US claimed
CN-115073485-B 3-aryl-7, 8-pyranocoumarin derivative, and preparation method and application thereof 广西中医药大学 2024-02-23 CN claimed
CN-114989131-B N' - (2- (benzo [1,3] dioxolan-5-yl) acyl) aryl hydrazide compound as well as synthesis and application thereof 云南大学 2023-10-24 CN claimed
CN-115215879-B 3-aryl-4, 5-pyranocoumarin derivative, and preparation method and application thereof 广西中医药大学 2023-10-20 CN claimed
CN-116444477-A Preparation method and application of bromopiperonyl carboxylic acid 宁波九胜创新医药科技有限公司 2023-07-18 CN claimed
CN-116120271-A Genipin derivative and preparation method and application thereof 广东工业大学 2023-05-16 CN claimed
CN-115215879-A 3-aryl-4, 5-pyranocoumarin derivatives, and preparation method and application thereof 广西中医药大学 2022-10-21 CN claimed
CN-115073485-A 3-aryl-7, 8-pyranocoumarin derivatives, and preparation method and application thereof 广西中医药大学 2022-09-20 CN claimed
CN-108586178-B Process for the manufacture of nitriles and their corresponding amines 中国石油化工股份有限公司 2022-02-11 CN claimed
US-20220039382-A1 METHOD AND COMPOUNDS TO INDUCE PLANT TOLERANCE AGAINST ARTHROPOD PESTS UNIVERSITEIT GENT (BE) 2022-02-10 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
WO-2003057896-A1 METHODS FOR PREPARING ANTHRACYCLINONE DERIVATIVES AND ANTHRACYCLINONE DERIVATIVES PER SE ALBANY MOLECULAR RESEARCH, INC. (US) 2003-07-17 WO claimed
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US claimed
US-6448443-B1 GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 US claimed
WO-2000006525-A2 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-10 WO claimed
EP-0954596-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF $i(TAXUS) SPECIES PHYTON, INC. (US) 1999-11-10 EP claimed
WO-1997044476-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON, INC. (US) 1997-11-27 WO claimed
US-5691373-A TREATING SUBARACHNOID HEMORRHAGE WARNER-LAMBERT COMPANY (US) 1997-11-25 US claimed
EP-0714391-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-06-05 EP claimed
WO-1995005376-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-02-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-12593844-B2 Method and compounds to induce plant tolerance against arthropod pests HPD, PAH, P4HTM CYP3A4 522/4885ALDH1A1 1039/4885CYP1A2 754/4885
US-20220039382-A1 METHOD AND COMPOUNDS TO INDUCE PLANT TOLERANCE AGAINST ARTHROPOD PESTS BROX, DDT, CAT CYP3A4 2114/4885ALDH1A1 3206/4885CYP1A2 1511/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 CYP3A4 548/4885ALDH1A1 1723/4885CYP1A2 968/4885
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products TKFC, NISCH, PTGIS CYP3A4 796/4885ALDH1A1 568/4885CYP1A2 312/4885

“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.