SCHEMBL22001389

SCHEMBL22001389

COc1ccc2cc(/C(C)=N/OC(C)=O)c(=O)oc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.70
▸ HPGD P15428 5/20 0.70
▸ MAOB P27338 4/20 0.70
▸ GAA P10253 3/20 0.70
▸ SLC16A3 O15427 1/20 0.66
▸ KDM4E B2RXH2 6/20 0.62
▸ GLA P06280 2/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ RAB9A P51151 2/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ CA12 O43570 2/20 0.59
▸ CA2 P00918 2/20 0.59
▸ CA3 P07451 2/20 0.59
▸ CA6 P23280 2/20 0.59
▸ CA7 P43166 2/20 0.59
▸ CA9 Q16790 2/20 0.59
▸ CA14 Q9ULX7 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ CA4 P22748 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59

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
SCHEMBL28937064 1.00 ALDH1A1 (0.70) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL13538681 0.88 ALDH1A1 (0.67) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL28719031 0.86 ALDH1A1 (0.64) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL28719029 0.86 ALDH1A1 (0.64) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL22001514 0.84 ALDH1A1 (0.72) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL28715500 0.84 CYP2C19 (0.68) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL28715502 0.84 CYP2C19 (0.68) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL1104931 0.83 ALDH1A1 (1.00) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL28713651 0.82 KDM4E (0.64) ALDH1A1HPGDMAOBKDM4EHSD17B10
SCHEMBL28715499 0.82 KDM4E (0.64) ALDH1A1HPGDMAOBKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110283180-B Method for synthesizing pyridine [3,4-c ] coumarin 长沙理工大学 2022-03-29 — — CN claimed
CN-110283180-B Method for synthesizing pyridine [3,4-c ] coumarin 长沙理工大学 2022-03-29 — — CN disclosed
US-11142511-B2 Coumarin oxime ester compounds, preparation and use thereof HUBEI GURUN TECHNOLOGY CO., LTD. (CN) 2021-10-12 — — US disclosed
EP-3660008-A1 COUMARIN OXIME ESTER COMPOUND AND PREPARATION AND USE THEREOF Hubei Gurun Technology Co., Ltd (CN) 2020-06-03 — — EP disclosed
US-20200148660-A1 COUMARIN OXIME ESTER COMPOUNDS, PREPARATION AND USE THEREOF HUBEI GURUN TECHNOLOGY CO. LTD (CN) 2020-05-14 — — 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 (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-20200148660-A1 COUMARIN OXIME ESTER COMPOUNDS, PREPARATION AND USE THEREOF CBR3, POR, CYP3A4 ALDH1A1 457/4885HPGD 400/4885MAOB 660/4885
US-11142511-B2 Coumarin oxime ester compounds, preparation and use thereof CBR3, POR, CYP3A4 ALDH1A1 457/4885HPGD 400/4885MAOB 660/4885

“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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