SCHEMBL4592300

SCHEMBL4592300

COc1cc(OC)cc(C(=O)C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
RXRA P19793 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL7607934 0.98 CES2 (0.50) ALDH1A1CES2CES1RXRAABCG2
SCHEMBL25508540 0.87 CES2 (0.64) ALDH1A1CES2CES1RXRAABCG2
SCHEMBL17414538 0.85 MEN1 (0.44) CES2CES1RXRAABCG2KDM4E
3,5-Dimethoxybenzoic Acid SCHEMBL503889 0.83 RXRA (0.64) ALDH1A1RXRAABCG2KDM4EGAA
SCHEMBL25508690 0.82 RXRA (0.58) ALDH1A1CES2CES1RXRAABCG2
SCHEMBL2682408 0.81 CES2 (0.81) ALDH1A1CES2CES1ABCG2NPC1
3,5-Dimethoxybenzoic Acid SCHEMBL5668197 0.81 RXRA (0.62) ALDH1A1RXRAABCG2KDM4EGAA
3,5-Dimethoxybenzoic Acid SCHEMBL20592058 0.81 RXRA (0.62) ALDH1A1RXRAABCG2KDM4EGAA
SCHEMBL15624896 0.81 ALDH1A1 (0.52) ALDH1A1CES2CES1RXRAABCG2
SCHEMBL31020261 0.80 CES2 (0.74) ALDH1A1CES2CES1RXRAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023145564-A1 ACTIVE LIGHT–SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTIVE LIGHT–SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMATION METHOD, AND PRODUCTION METHOD FOR ELECTRONIC DEVICE 富士フイルム株式会社 2023-08-03 WO disclosed
US-10968206-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2021-04-06 US disclosed
US-10968206-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2021-04-06 US disclosed
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2019-07-25 US disclosed
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2019-07-25 US disclosed
US-10221164-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2019-03-05 US disclosed
US-10221164-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2019-03-05 US disclosed
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2017-07-27 US disclosed
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2017-07-27 US disclosed
US-9580400-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2017-02-28 US disclosed
US-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
US-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
WO-2014134127-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NORTHEASTERN UNIVERSITY (US) 2014-09-04 WO disclosed
WO-2014134127-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NORTHEASTERN UNIVERSITY (US) 2014-09-04 WO disclosed
US-7442485-B2 Lithographic process involving on press development FUJIFILM CORPORATION (JP) 2008-10-28 US disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1484177-B1 Lithographic process involving on press development FUJIFILM CORP (JP) 2007-08-29 EP disclosed
US-20050016402-A1 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. 2005-01-27 US disclosed
EP-1484177-A2 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. (JP) 2004-12-08 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-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS CNR2, CNR1, CHRNB3 ALDH1A1 1850/4885CES2 142/4885CES1 379/4885
US-10968206-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 ALDH1A1 1850/4885CES2 142/4885CES1 379/4885
US-10221164-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 ALDH1A1 1850/4885CES2 142/4885CES1 379/4885
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 ALDH1A1 1850/4885CES2 142/4885CES1 379/4885
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 ALDH1A1 1850/4885CES2 142/4885CES1 379/4885

“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.