SCHEMBL3071944

SCHEMBL3071944

COc1ccc(C(C)=CC=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.53
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
TCF4 P15884 1/20 0.49
CTNNB1 P35222 1/20 0.49
MAPT P10636 2/20 0.48
PARP1 P09874 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL4962948 1.00 NQO2 (0.53) NQO2CES2CES1CA1CA2
SCHEMBL9520221 1.00 NQO2 (0.53) NQO2CES2CES1CA1CA2
SCHEMBL19659965 0.85 NQO2 (0.44) NQO2CES2CES1CA1CA2
SCHEMBL8564034 0.82 ALDH1A1 (0.57) NQO2CES2CES1CA1CA2
SCHEMBL24181271 0.80 NQO2 (0.53) NQO2CES2CES1CA1CA2
SCHEMBL6554966 0.80 NQO2 (0.44) NQO2PTGS1ALDH1A1KDM4E
SCHEMBL2472466 0.80 NQO2 (0.61) NQO2PTGS1PTGS2MAPTALDH1A1
SCHEMBL6554972 0.80 NQO2 (0.44) NQO2PTGS1ALDH1A1KDM4E
SCHEMBL8428783 0.79 NQO2 (0.56) NQO2CES2CES1CA1CA2
SCHEMBL8428781 0.79 NQO2 (0.56) NQO2CES2CES1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250280857-A1 DEGRADATION-RESISTANT ALDEHYDE-CONTAINING COMPOSITIONS ZOOMESSENCE INC (US) 2025-09-11 US claimed
CN-119136683-A Degradation resistant aldehyde-containing compositions 祖姆森斯有限公司 2024-12-13 CN claimed
US-20100221398-A1 PRESERVATIVE DSM IP ASSETS B.V. (NL) 2010-09-02 US claimed
EP-2150133-A2 PRESERVATIVE DSM IP Assets B.V. (NL) 2010-02-10 EP claimed
WO-2008149102-A2 PRESERVATIVE DSM FOOD SPECIALITIES B.V. (NL) 2008-12-11 WO claimed
JP-2243644-A None JP disclosed
US-20250280857-A1 DEGRADATION-RESISTANT ALDEHYDE-CONTAINING COMPOSITIONS ZOOMESSENCE INC (US) 2025-09-11 US disclosed
CN-119136683-A Degradation resistant aldehyde-containing compositions 祖姆森斯有限公司 2024-12-13 CN disclosed
CN-112004805-B Process for producing 5, 5-disubstituted-4, 5-dihydroisoxazoles 组合化学工业株式会社 2024-06-14 CN disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
WO-2023215706-A1 DEGRADATION-RESISTANT ALDEHYDE-CONTAINING COMPOSITIONS ZoomEssence, Inc. (US) 2023-11-09 WO disclosed
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 EP disclosed
EP-0975224-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 2000-02-02 EP disclosed
US-6020287-A USING MIXTURE OF HERBICIDE AND PHENYL-SUBSTITUTED OLEFIN COMPOUND MONSANTO COMPANY (US) 2000-02-01 US disclosed
WO-1998033385-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 1998-08-06 WO disclosed
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
JP-H02243644-A NEW ORGANIC COMPOUND SEKISUI CHEM CO LTD 1990-09-27 JP disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US 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 (2 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 NQO2 1067/4885CES2 1537/4885CES1 2831/4885
US-20100221398-A1 PRESERVATIVE C9, AOX1, MANBA NQO2 356/4885CES2 1149/4885CES1 1494/4885

“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.