SCHEMBL20420804

SCHEMBL20420804

O=c1cc(-c2ccc(-c3ccc4c(c3)OCO4)s2)c2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ TNKS O95271 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ TP53 P04637 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ PTPRC P08575 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42

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
SCHEMBL20420790 0.82 CYP2D6 (0.56) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20420803 0.81 CA9 (0.49) ALDH1A1NPC1RAB9AHPGDTNKS
SCHEMBL20420799 0.79 CA12 (0.49) ALDH1A1MAPTTNKSSMN1; SMN2TP53
SCHEMBL20420715 0.79 CA12 (0.49) ALDH1A1TNKSCYP1A2CYP1B1LMNA
SCHEMBL20420779 0.77 CA12 (0.53) MAPTTNKSCYP1A2CYP1B1
SCHEMBL20428397 0.76 ALDH1A1 (0.52) ALDH1A1RAB9AKDM4EHPGDMAPT
SCHEMBL20420786 0.76 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20420774 0.75 PTGS2 (0.44) PTGS2
SCHEMBL20420801 0.74 HPGD (0.51) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20420760 0.73 CA12 (0.53) ALDH1A1MEN1KMT2ACYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 725/4885NPC1 325/4885RAB9A 3380/4885
US-20180282315-A1 4-SUBSTITUTED COUMARIN DERIVATIVES AND PREPARATION METHODS AND USES THEREOF MAP4, TUBA3C, ABCC1 ALDH1A1 725/4885NPC1 325/4885RAB9A 3380/4885

“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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