SCHEMBL3790469

SCHEMBL3790469

CCOc1cccc(B(O)O)c1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 1/20 0.44
▸ ENPP2 Q13822 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ORAI1 Q96D31 1/20 0.38
▸ ORAI2 Q96SN7 1/20 0.38
▸ ORAI3 Q9BRQ5 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ DAO P14920 1/20 0.37

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
SCHEMBL30254552 0.82 SCN4A (0.44) ALDH1A1GLAHPGDHSD17B10MAPT
SCHEMBL6642374 0.82 ALDH1A1 (0.42) ALDH1A1L3MBTL1GLAHPGDHSD17B10
SCHEMBL22704 0.82 LIPE (0.63) LIPEENPP2ALDH1A1L3MBTL1GLA
SCHEMBL29825302 0.82 LIPE (0.63) LIPEENPP2ALDH1A1L3MBTL1GLA
SCHEMBL3784042 0.81 CHRM2 (0.46) LIPEENPP2L3MBTL1ORAI1ORAI2
Methyl Alcohol SCHEMBL28171303 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1GLAMAPTKDM4E
SCHEMBL2068454 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1GLAMAPTKDM4E
SCHEMBL7772600 0.81 LIPE (0.44) LIPEENPP2ALDH1A1L3MBTL1GLA
SCHEMBL7239536 0.81 LIPE (0.44) LIPEENPP2ALDH1A1L3MBTL1GLA
SCHEMBL3980122 0.81 LIPE (0.44) LIPEENPP2ALDH1A1L3MBTL1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818652-B Organic luminescent material containing aryl ester derivative, preparation method and application thereof 上海和辉光电股份有限公司 2023-08-22 — — CN disclosed
CN-110818652-A Organic luminescent material containing aryl ester derivative, preparation method and application thereof 上海和辉光电有限公司 2020-02-21 — — CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 — — EP 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 (1 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 LIPE 521/4885ENPP2 1920/4885ALDH1A1 4339/4885

“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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