SCHEMBL5457397

SCHEMBL5457397

CC1=CC(=O)C=C(O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
MAPK1 P28482 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
BLM P54132 3/20 0.40
USP2 O75604 3/20 0.40
RECQL P46063 2/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.40
TXNRD1 Q16881 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS1 P23219 2/20 0.36
ALOX5 P09917 1/20 0.36
XIAP P98170 1/20 0.35

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
SCHEMBL8663021 0.80 XIAP (0.37) MAPTMEN1MAPK1KMT2AALDH1A1
SCHEMBL21463 0.80 MAPT (0.41) MAPTMEN1MAPK1KMT2AALDH1A1
SCHEMBL11664836 0.73
Duroquinone SCHEMBL11408085 0.72 DDAH1 (0.36) MAPTMEN1MAPK1KMT2AALDH1A1
SCHEMBL15597606 0.69 XIAP (0.45) MAPTMEN1MAPK1KMT2AALDH1A1
SCHEMBL16921972 0.69 MALT1 (0.35) MAPTMEN1MAPK1KMT2AKDM4E
SCHEMBL13267620 0.69 ALOX5 (0.47) MAPTMEN1MAPK1KMT2AALDH1A1
SCHEMBL19604150 0.69 S100A4 (0.39) MAPTMEN1MAPK1KMT2AKDM4E
SCHEMBL13986038 0.69 CDC25A (0.38) MAPTMEN1MAPK1KMT2AALDH1A1
SCHEMBL19413742 0.69 MAPT (0.43) MAPTMEN1MAPK1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4153553-B1 PHOTOOXIDATION OF 2,3,5-TRIMETHYLPHENOL DSM IP ASSETS BV (NL) 2024-01-31 EP disclosed
EP-4153555-B1 PHOTOOXIDATION OF PHENOLIC COMPOUNDS DSM IP ASSETS BV (NL) 2024-01-31 EP disclosed
EP-4153554-B1 PHOTOOXIDATION OF 2,3,6-TRIMETHYLPHENOL DSM IP ASSETS BV (NL) 2024-01-31 EP disclosed
US-20230035690-A1 MACHINE LEARNING TOOLS AND A PROCESS TO DISCOVER NEW NATURAL PRODUCTS BY LINKING GENOMES AND METABOLOMES IN FUNGI NORTHWESTERN UNIVERSITY 2023-02-02 US disclosed
US-20170342094-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2017-11-30 US disclosed
US-20170334866-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170327478-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. 2017-11-16 US disclosed
US-9777024-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2017-10-03 US disclosed
US-9771339-B2 Cystathionine-γ-lyase (CSE) inhibitors SOVA PHARMACEUTICALS, INC. (US) 2017-09-26 US disclosed
US-9725426-B2 Cystathionine-γ-lyase (CSE) inhibitors SOVA PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20150266837-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. 2015-09-24 US disclosed
WO-2015112902-A2 CYSTATHIONINE-(gamma)-LYASE (CSE) INHIBITORS FOR TREATING PAIN SOVA PHARMACEUTICALS, INC. (US) 2015-07-30 WO disclosed
US-20150202186-A1 CYSTATHIONINE-(gamma)-LYASE (CSE) INHIBITORS FOR TREATING PAIN SOVA PHARMACEUTICALS, INC. 2015-07-23 US disclosed
US-20150175561-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2015-04-30 US disclosed
WO-2014018571-A2 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS SOVA PHARMACEUTICALS, INC. (US) 2014-01-30 WO disclosed
WO-2014018570-A1 CYSTATHIONINE-Υ-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. (US) 2014-01-30 WO disclosed
US-7459473-B2 N-linked sulfonamides of N-heterocyclic carboxylic acids or carboxylic acid isosteres GLIA MED, INC. (US) 2008-12-02 US disclosed
US-20070110726-A1 Rust disease control by Aphanocladium album and/or Beauveria brongniartii PHYTOMYCO RESEARCH CORPORATION (US) 2007-05-17 US disclosed
US-4867751-A HAIR DYES L'OREAL (FR) 1989-09-19 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 (8 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-20150175561-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS CBS, CTH, BHMT MAPT 2893/4885MEN1 3008/4885MAPK1 3124/4885
US-20170334866-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS CBS, CTH, BHMT MAPT 2893/4885MEN1 3008/4885MAPK1 3124/4885
US-20170327478-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS CBS, CTH, BHMT MAPT 2893/4885MEN1 3008/4885MAPK1 3124/4885
US-20070110726-A1 Rust disease control by Aphanocladium album and/or Beauveria brongniartii ERG28, HLA-A, GET3 MAPT 216/4885MEN1 1428/4885MAPK1 3733/4885
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C MAPT 4329/4885MEN1 3207/4885MAPK1 3462/4885
US-20150266837-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS CBS, CTH, BHMT MAPT 2893/4885MEN1 3008/4885MAPK1 3124/4885
US-20170342094-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C MAPT 4241/4885MEN1 4531/4885MAPK1 2441/4885
US-20150202186-A1 CYSTATHIONINE-(gamma)-LYASE (CSE) INHIBITORS FOR TREATING PAIN CBS, CTH, MTR MAPT 1719/4885MEN1 4381/4885MAPK1 3542/4885

“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.