SCHEMBL20420737

SCHEMBL20420737

CCN(CC)c1ccc2c(Br)cc(=O)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.71
▸ GLA P06280 7/20 0.71
▸ L3MBTL1 Q9Y468 6/20 0.71
▸ IGLV6-57 P01721 6/20 0.71
▸ HPGD P15428 5/20 0.71
▸ ATM Q13315 5/20 0.71
▸ CYP3A4 P08684 4/20 0.71
▸ CASP1 P29466 4/20 0.71
▸ CASP7 P55210 4/20 0.71
▸ HSD17B10 Q99714 4/20 0.71
▸ MAPK1 P28482 2/20 0.71
▸ HIF1A Q16665 2/20 0.71
▸ KDM4E B2RXH2 8/20 0.69
▸ MAPT P10636 6/20 0.69
▸ MEN1 O00255 5/20 0.69
▸ KMT2A Q03164 5/20 0.69
▸ TDP1 Q9NUW8 5/20 0.69
▸ CYP1A2 P05177 3/20 0.69
▸ CYP2C19 P33261 3/20 0.69
▸ CYP2C9 P11712 2/20 0.69

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
SCHEMBL2687125 0.84 ALDH1A1 (0.61) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL67108 0.83 ALDH1A1 (1.00) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL29362472 0.83 ALDH1A1 (1.00) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL384286 0.83 ALDH1A1 (1.00) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL6690441 0.83 ALDH1A1 (0.73) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL29266170 0.83 IGLV6-57 (0.50) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL3751339 0.83 ALDH1A1 (0.60) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL26598031 0.82 ALDH1A1 (0.68) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL1942067 0.82 ALDH1A1 (1.00) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL29593308 0.82 ALDH1A1 (1.00) ALDH1A1GLAL3MBTL1IGLV6-57HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3354648-B1 4-SUBSTITUED COUMARIN DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF CHENGDU ZENITAR BIOMEDICAL TECH CO LTD (CN) 2022-04-06 — — EP disclosed
CN-108349959-B 4-substituted coumarin derivative and preparation method and application thereof 成都赜灵生物医药科技有限公司 2021-11-16 — — CN disclosed
US-10544134-B2 4-substituted coumarin derivatives and preparation methods and uses thereof GUIZHOU BAILING GROUP PHARMACEUTICAL CO., LTD. (CN) 2020-01-28 — — US disclosed
US-20180282315-A1 4-SUBSTITUTED COUMARIN DERIVATIVES AND PREPARATION METHODS AND USES THEREOF CHENGDU ZENITAR BIOMEDICAL TECHNOLOGY CO., LTD. (CN) 2018-10-04 — — US disclosed
EP-3354648-A1 4-SUBSTITUED COUMARIN DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF Guizhou Bailing Group Pharmaceutical Co., Ltd. (CN) 2018-08-01 — — EP disclosed
CN-108349959-A The coumarin derivative and its preparation method and application of 4 substitutions 贵州百灵企业集团制药股份有限公司 2018-07-31 — — CN 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-10544134-B2 4-substituted coumarin derivatives and preparation methods and uses thereof MAP4, TUBA3C, ABCC1 ALDH1A1 725/4885GLA 4060/4885L3MBTL1 3483/4885
US-20180282315-A1 4-SUBSTITUTED COUMARIN DERIVATIVES AND PREPARATION METHODS AND USES THEREOF MAP4, TUBA3C, ABCC1 ALDH1A1 725/4885GLA 4060/4885L3MBTL1 3483/4885

“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.

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