SCHEMBL6835992

SCHEMBL6835992

COc1cc(C(=O)C(C)C)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
SLC22A6 Q4U2R8 1/20 0.68
SLC22A8 Q8TCC7 1/20 0.68
RAB9A P51151 1/20 0.68
HTT P42858 1/20 0.66
KDM4E B2RXH2 2/20 0.65
GAA P10253 2/20 0.65
DBH P09172 1/20 0.65
RECQL P46063 1/20 0.65
HSD17B2 P37059 1/20 0.57
BLM P54132 2/20 0.55
CYP1A2 P05177 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
POLB P06746 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 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
SCHEMBL28052189 0.88 MEN1 (0.66) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL15004192 0.86 MEN1 (0.64) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL25139441 0.86 RECQL (0.65) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL758674 0.85 TSHR (0.66) KDM4EGAADBHRECQLCYP1A2
SCHEMBL29472911 0.83 MEN1 (0.60) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL11539489 0.83 MEN1 (0.64) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL19769118 0.82 TAS1R3 (0.52) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL27968763 0.81 MEN1 (0.72) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL17106307 0.81 KDM4E (0.59) MEN1KMT2ASLC22A6SLC22A8RAB9A
Apocynin SCHEMBL27893253 0.81 HTT (0.65) MEN1KMT2ASLC22A6SLC22A8RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
WO-2013173332-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN Vertichem Corporation (CA) 2013-11-21 WO claimed
US-20130232852-A1 METHOD FOR TIERED PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM LIGNIN THESIS CHEMISTRY, LLC (US) 2013-09-12 US claimed
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN THESIS CHEMISTRY, LLC (US) 2013-09-12 US claimed
WO-2013134756-A1 A METHOD FOR TIERED PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM LIGNIN Vertichem Corporation (CA) 2013-09-12 WO claimed
US-6753441-B1 CONDENSING, IN WATER AND BASE, HYDROXYLATED AROMATIC COMPOUND WITH GLYOXYLIC ACID USING POLYCARBOXYLIC ACID CATALYST RHODIA CHIMIE (FR) 2004-06-22 US claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed
US-20230183159-A1 METHOD FOR THE TREATMENT OF A COMPOSITION COMPRISING NATURAL VANILLIN SPECIALTY OPERATIONS FRANCE (FR) 2023-06-15 US disclosed
US-20230183159-A1 METHOD FOR THE TREATMENT OF A COMPOSITION COMPRISING NATURAL VANILLIN SPECIALTY OPERATIONS FRANCE (FR) 2023-06-15 US disclosed
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
US-20170283352-A1 METHOD FOR PRODUCING AN AROMA SUBSTANCE BASF SE (DE) 2017-10-05 US disclosed
CN-101774897-B Method for preparing vanillin and analogue thereof UNIV EAST CHINA SCIENCE & TECH 2014-03-19 CN disclosed
WO-2013173332-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN Vertichem Corporation (CA) 2013-11-21 WO disclosed
US-5705703-A ENZYME INHIBITORS OF TRANSFERASES HOFFMANN-LA ROCHE INC. (US) 1998-01-06 US disclosed
US-5633371-A ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1997-05-27 US disclosed
US-5476875-A Catechol derivatives HOFFMAN-LA ROCHE INC. (US) 1995-12-19 US disclosed
US-5389653-A Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease HOFFMAN-LA ROCHE INC. (US) 1995-02-14 US disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 US disclosed
EP-0237929-B1 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 EP 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 (5 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-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 MEN1 3029/4885KMT2A 1017/4885SLC22A6 4466/4885
US-20130232852-A1 METHOD FOR TIERED PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM LIGNIN DCXR, AGL, GLO1 MEN1 4418/4885KMT2A 2781/4885SLC22A6 4361/4885
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN HAAO, HAO2, HACL2 MEN1 4741/4885KMT2A 2677/4885SLC22A6 4438/4885
US-20230183159-A1 METHOD FOR THE TREATMENT OF A COMPOSITION COMPRISING NATURAL VANILLIN SDHA, COMT, NDUFV2 MEN1 3426/4885KMT2A 3129/4885SLC22A6 3384/4885
US-20170283352-A1 METHOD FOR PRODUCING AN AROMA SUBSTANCE ADH1A, H1-0, HRH3 MEN1 772/4885KMT2A 408/4885SLC22A6 2919/4885

“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.