SCHEMBL286553

SCHEMBL286553

COc1cc(C=O)c(C)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
ERN1 O75460 10/20 0.53
CGAS Q8N884 2/20 0.51
TRIM24 O15164 2/20 0.50
TRIM33 Q9UPN9 2/20 0.50
AOX1 Q06278 1/20 0.50
HPGD P15428 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
PRKDC P78527 2/20 0.48
TYR P14679 1/20 0.46
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
TLR6 Q9Y2C9 1/20 0.46
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 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
SCHEMBL29953159 0.92 ERN1 (0.53) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL5355474 0.92 ERN1 (0.53) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL3641916 0.85 ALDH1A1 (0.53) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL1002368 0.84 ALDH1A1 (0.69) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL29459687 0.84 ALDH1A1 (0.57) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL1004432 0.84 ALDH1A1 (0.57) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL29459727 0.84 ALDH1A1 (0.69) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL1494078 0.84 ALDH1A1 (0.68) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL24311483 0.82 ALDH1A1 (0.72) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL697093 0.82 ALDH1A1 (0.59) ALDH1A1TDP1KDM4ETSHRERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111548260-A Separation method of 6-methyl vanillin and vanillin 上海欣晨新技术有限公司 2020-08-18 CN claimed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
US-10947206-B2 cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
CN-111548260-A Separation method of 6-methyl vanillin and vanillin 上海欣晨新技术有限公司 2020-08-18 CN disclosed
CN-111548260-A Separation method of 6-methyl vanillin and vanillin 上海欣晨新技术有限公司 2020-08-18 CN disclosed
CN-111548260-A Separation method of 6-methyl vanillin and vanillin 上海欣晨新技术有限公司 2020-08-18 CN disclosed
WO-2017176812-A1 cGAS ANTAGONIST COMPOUNDS IMMUNE SENSOR, LLC (US) 2017-10-12 WO disclosed
US-20160097755-A1 METHOD FOR DETECTING, CAPTURING AND/OR RELEASING CHEMICAL ELEMENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-04-07 US disclosed
US-9230827-B2 Method for forming a resist under layer film and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-01-05 US disclosed
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-20130171569-A1 RESIST UNDERLAYER FILM COMPOSITION, METHOD FOR PRODUCING POLYMER FOR RESIST UNDERLAYER FILM, AND PATTERNING PROCESS USING THE RESIST UNDERLAYER FILM COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-07-04 US disclosed
US-20120184103-A1 RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-07-19 US disclosed
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 US disclosed
US-20030236439-A1 Non-steroidal analogs of 2-methoxyestradiol ENTREMED, INC. 2003-12-25 US disclosed
WO-2003063787-A2 NON-STEROIDAL ANALOGS OF 2-METHOXYESTRADIOL ENTREMED, INC. (US) 2003-08-07 WO disclosed
EP-0029617-A1 Use of tertiary heterocyclic amines as synergists in pesticides; derivatives of cycloamines C.F. Spiess & Sohn GmbH & Co. Chemische Fabrik (DE) 1981-06-03 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 (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-10947206-B2 cGAS antagonist compounds CGAS, STING1, GLS2 ALDH1A1 3908/4885TDP1 59/4885KDM4E 4717/4885
US-20030236439-A1 Non-steroidal analogs of 2-methoxyestradiol NR5A1, CCNB2, CYP17A1 ALDH1A1 2518/4885TDP1 3666/4885KDM4E 1441/4885
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1376/4885TDP1 3705/4885KDM4E 1977/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1376/4885TDP1 3705/4885KDM4E 1977/4885

“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.