SCHEMBL20607767

SCHEMBL20607767

COCOc1ccc(C#CCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.48
▸ APP P05067 7/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRA4 P48169 1/20 0.38
▸ GABRE P78334 1/20 0.38
▸ GABRA6 Q16445 1/20 0.38
▸ GABRG1 Q8N1C3 1/20 0.38
▸ GABRG3 Q99928 1/20 0.38
▸ GABRQ Q9UN88 1/20 0.38

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
SCHEMBL26668462 0.95 HRH3 (0.44) HRH3APPMMP2MMP12GABRP
SCHEMBL13170580 0.84 APP (0.48) APPMMP2FFAR1
SCHEMBL28687083 0.84 HRH3 (0.54) HRH3APPMMP2MMP12ALDH1A1
SCHEMBL20681007 0.83 HAO1 (0.40) HRH3APPMMP2GABRPGABRD
SCHEMBL6168268 0.82 APP (0.59) HRH3APPMMP2MMP12ALDH1A1
SCHEMBL21715143 0.80 APP (0.41) APPMMP2FFAR1FYN
SCHEMBL24197392 0.78 APP (0.53) HRH3APPMMP2
SCHEMBL15010951 0.78 HRH3 (0.59) HRH3
SCHEMBL9511351 0.77 ACHE (0.43) APPFFAR1LMNA
SCHEMBL3589633 0.77 NQO1 (0.50) APPMMP2FYNKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3971191-A1 BORON-CONTAINING SMALL MOLECULES Bill And Melinda Gates Foundation (US) 2022-03-23 — — EP disclosed
CN-113563368-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-10-29 — — CN disclosed
CN-113321672-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-08-31 — — CN disclosed
EP-3423065-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2021-07-21 — — EP disclosed
CN-109195608-B Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-05-11 — — CN disclosed
US-10919916-B2 Boron-containing small molecules BILL & MELINDA GATES FOUNDATION (US) 2021-02-16 — — US disclosed
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BILL & MELINDA GATES FOUNDATION (US) 2020-08-06 — — US disclosed
US-10611780-B2 Boron-containing small molecules BILL AND MELINDA GATES FOUNDATION (US) 2020-04-07 — — US disclosed
US-20190077814-A1 BORON-CONTAINING SMALL MOLECULES GATES FOUNDATION 2019-03-14 — — US disclosed
EP-3423065-A1 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2019-01-09 — — 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-20190077814-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD HRH3 512/4885APP 4390/4885MMP2 2259/4885
US-10919916-B2 Boron-containing small molecules BCL6B, BLVRB, BTD HRH3 512/4885APP 4390/4885MMP2 2259/4885
US-10611780-B2 Boron-containing small molecules BCL6B, BLVRB, BTD HRH3 512/4885APP 4390/4885MMP2 2259/4885
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD HRH3 512/4885APP 4390/4885MMP2 2259/4885

“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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