SCHEMBL21558596

SCHEMBL21558596

CCCCOCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.54
LIPG Q9Y5X9 9/20 0.54
RARB P10826 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
TSHR P16473 1/20 0.43
DGAT1 O75907 1/20 0.41
RARA P10276 1/20 0.40

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
SCHEMBL21558710 0.97 LPL (0.55) LPLLIPGRARBCA1CA2
SCHEMBL21558282 0.93 LPL (0.51) LPLLIPGRARBCA1CA2
SCHEMBL18365038 0.93 LPL (0.51) LPLLIPGRARBCA1CA2
SCHEMBL14302548 0.92 LPL (0.61) LPLLIPGCA1CA2CA9
SCHEMBL4515280 0.92 CA1 (0.51) LPLLIPGCA1CA2CA9
SCHEMBL1574216 0.92 CA1 (0.51) LPLLIPGCA1CA2CA9
SCHEMBL18727880 0.89 LPL (0.62) LPLLIPGCA1CA2CA9
SCHEMBL16790069 0.88 LPL (0.56) LPLLIPGCA1CA2CA9
SCHEMBL15037360 0.88 LPL (0.63) LPLLIPGCA1CA2CA9
SCHEMBL25527190 0.88 LPL (0.63) LPLLIPGCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF NICOYA THERAPEUTICS (SHANGHAI) CO., LTD (CN) 2023-06-15 US disclosed
US-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF NICOYA THERAPEUTICS (SHANGHAI) CO., LTD (CN) 2023-06-15 US disclosed
US-20230002360-A1 Heterocycloalkyl compounds as CCR2 / CCR5 antagonists Wuxi Life Fountain Biotech Co., Ltd. (CN) 2023-01-05 US disclosed
EP-3988098-A1 HETEROCYCLO ALKYL COMPOUNDS USED AS CCR2/CCR5 ANTAGONIST Shenzhen Lingfang Biotech Co., Ltd (CN) 2022-04-27 EP disclosed
EP-3567028-B1 BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST MEDSHINE DISCOVERY INC (CN) 2022-01-05 EP disclosed
US-11155523-B2 Biphenyl compound as CCR2/CCR5 receptor antagonist MEDSHINE DISCOVERY, INC. (CN) 2021-10-26 US disclosed
CN-113412261-A Benzimidazole compounds, preparation method and use thereof 四川科伦博泰生物医药股份有限公司 2021-09-17 CN disclosed
US-20200223801-A1 Biphenyl Compound As CCR2/CCR5 Receptor Antagonist MEDSHINE DISCOVERY, INC. (CN) 2020-07-16 US disclosed
EP-3567028-A1 BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST Medshine Discovery Inc. (CN) 2019-11-13 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 (4 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-11155523-B2 Biphenyl compound as CCR2/CCR5 receptor antagonist CCR2, CCR5, CCRL2 LPL 3048/4885LIPG 2878/4885RARB 304/4885
US-20200223801-A1 Biphenyl Compound As CCR2/CCR5 Receptor Antagonist CCR2, CCR5, CCRL2 LPL 3048/4885LIPG 2878/4885RARB 304/4885
US-20230002360-A1 Heterocycloalkyl compounds as CCR2 / CCR5 antagonists CCR2, CCR5, CCRL2 LPL 3610/4885LIPG 3531/4885RARB 1640/4885
US-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF XDH, CYP11B2, DPYD LPL 1168/4885LIPG 2475/4885RARB 2189/4885

“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.