SCHEMBL20420768

SCHEMBL20420768

COc1cc(-c2ccc(-c3cc(=O)oc4ccccc34)s2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ PTGES O14684 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ HPGD P15428 4/20 0.45
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ THRB P10828 1/20 0.43

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
SCHEMBL20420772 0.86 ALDH1A1 (0.49) ABCG2ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL20420721 0.85 APP (0.58) ALDH1A1HPGDKDM4ECYP3A4HSD17B10
SCHEMBL20420786 0.83 ALDH1A1 (0.52) ABCG2ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL20420801 0.81 HPGD (0.51) ALDH1A1HPGDCYP1A1CYP1B1KDM4E
SCHEMBL20420803 0.81 CA9 (0.49) ABCG2ALDH1A1HPGDCYP1A1CYP1B1
SCHEMBL20420775 0.81 PTGES (0.53) ABCG2PTGESALOX5PDGFRBALDH1A1
SCHEMBL20420799 0.79 CA12 (0.49) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL20420715 0.76 CA12 (0.49) ALDH1A1CYP1A1CYP1B1
SCHEMBL20428397 0.76 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL20420774 0.75 PTGS2 (0.44) —

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 8 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-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 ABCG2 53/4885PTGES 3771/4885ALOX5 3687/4885
US-20180282315-A1 4-SUBSTITUTED COUMARIN DERIVATIVES AND PREPARATION METHODS AND USES THEREOF MAP4, TUBA3C, ABCC1 ABCG2 53/4885PTGES 3771/4885ALOX5 3687/4885

“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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