SCHEMBL4537381

SCHEMBL4537381

CCOC(=O)C1=Cc2ccccc2OC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 5/20 0.61
ALOX5 P09917 1/20 0.61
KMT2A Q03164 2/20 0.60
PKM P14618 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.52
MAOB P27338 3/20 0.51
NPC1 O15118 2/20 0.51
NFKB1 P19838 2/20 0.51
RAB9A P51151 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
MAOA P21397 2/20 0.51
THRB P10828 1/20 0.51
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
CASP3 P42574 1/20 0.48

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
SCHEMBL29435098 1.00 ALDH1A1 (0.61) ALDH1A1KDM4EALOX5KMT2APKM
SCHEMBL5546808 0.86 ALOX5 (0.48) ALDH1A1KDM4EALOX5KMT2APKM
SCHEMBL2738436 0.83 CA12 (0.62) ALDH1A1KDM4EALOX5KMT2APKM
SCHEMBL30529047 0.83 CA12 (0.62) ALDH1A1KDM4EALOX5KMT2APKM
SCHEMBL3682856 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EALOX5KMT2APKM
SCHEMBL10473958 0.82 ALOX5 (0.48) ALDH1A1KDM4EALOX5KMT2APKM
SCHEMBL10473959 0.82 ALOX5 (0.48) ALDH1A1KDM4EALOX5KMT2APKM
SCHEMBL10650749 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EALOX5KMT2APKM
SCHEMBL13394278 0.82 ALOX5 (0.47) ALDH1A1KDM4EALOX5KMT2APKM
SCHEMBL7383220 0.81 TSHR (0.44) ALDH1A1KDM4EALOX5KMT2APKM

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023094734-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2023-06-01 WO disclosed
EP-2638025-B1 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM DKFZ (DE) 2020-02-05 EP disclosed
CN-109789143-A Antiproliferative based on pyrimidine G1治疗公司 2019-05-21 CN disclosed
CN-108997341-A Amide-Chao Geer alkali derivant and its synthetic method and application 江苏师范大学 2018-12-14 CN disclosed
CN-108864110-A Naphthoquinones benzopyran derivatives and its synthetic method and application 江苏师范大学 2018-11-23 CN disclosed
EP-2638026-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS Deutsches Krebsforschungszentrum (DKFZ) (DE) 2013-09-18 EP disclosed
EP-2638025-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS Deutsches Krebsforschungszentrum (DKFZ) (DE) 2013-09-18 EP disclosed
WO-2012062905-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 WO disclosed
WO-2012062901-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 WO disclosed
US-7138411-B2 Substituted benzopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. (US) 2006-11-21 US disclosed
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. 2004-02-26 US disclosed
US-6492390-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS. G.D. SEARLE & CO. 2002-12-10 US disclosed
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-01-24 US disclosed
WO-2001072735-A2 BENZOPYRANES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-04 WO disclosed
EP-1123285-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2001-08-16 EP disclosed
US-6271253-B1 CYCLOOXYGENASE INHIBITORS G.D. SEARLE & CO. 2001-08-07 US disclosed
US-6077850-A USEFUL FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 2000-06-20 US disclosed
WO-2000023433-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-04-27 WO 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-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation PTGS1, IL1R1, PTGES2 ALDH1A1 163/4885KDM4E 3264/4885ALOX5 416/4885
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation PTGS1, PTGES2, IL1R1 ALDH1A1 160/4885KDM4E 2392/4885ALOX5 713/4885

“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.