SCHEMBL4468874

SCHEMBL4468874

COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
XDH P47989 1/20 0.41
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40
MAPT P10636 7/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL29734873 1.00 ALDH1A1 (0.44) ALDH1A1CA12CA1CA2CA7
SCHEMBL3336720 0.89 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA7
SCHEMBL4815763 0.85 UCHL1 (0.49) ALDH1A1CA12CA1CA2CA7
SCHEMBL3454613 0.84 KDM4E (0.46) ALDH1A1CA12CA1CA2CA7
SCHEMBL18145744 0.84 CA1 (0.54) ALDH1A1CA12CA1CA2CA7
SCHEMBL203450 0.84 CA1 (0.42) ALDH1A1CA12CA1CA2CA7
SCHEMBL30963922 0.84 CA1 (0.42) ALDH1A1CA12CA1CA2CA7
SCHEMBL1130339 0.84 TSHR (0.49) ALDH1A1CA12CA1CA2CA7
SCHEMBL17181493 0.83 KDM4E (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL426746 0.83 MAPT (0.50) ALDH1A1CA12CA1CA2CA7

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291523-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2025-05-06 US disclosed
US-20240317726-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO, INC. 2024-09-26 US disclosed
US-11970484-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2024-04-30 US disclosed
US-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PROMIDIS S.R.L. (IT) 2024-04-04 US disclosed
EP-4288431-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2023-12-13 EP disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
EP-3814331-B9 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-08-09 EP disclosed
EP-3814331-B1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-06-14 EP disclosed
US-11618747-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2023-04-04 US disclosed
WO-2022167682-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-08-11 WO disclosed
US-20150322023-A1 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CHONG KUN DANG PHARM CORP (KR) 2015-11-12 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed
WO-2014119947-A1 BIARYL- OR HETEROCYCLIC BIARYL-SUBSTITUTED CYCLOHEXENE DERIVATIVE COMPOUNDS AS CETP INHIBITORS CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-08-07 WO disclosed
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
CN-1802355-A Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2006-07-12 CN disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ASTELLAS PHARMA INC. (JP) 2005-04-28 US disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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 (11 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-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PTPN22, PTPN2, PTPN5 ALDH1A1 3046/4885CA12 3238/4885CA1 3093/4885
US-20240317726-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NCOA3 ALDH1A1 4262/4885CA12 4857/4885CA1 4755/4885
US-11618747-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 ALDH1A1 3798/4885CA12 4871/4885CA1 4773/4885
US-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 ALDH1A1 675/4885CA12 2602/4885CA1 2409/4885
US-12291523-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 ALDH1A1 4042/4885CA12 4852/4885CA1 4739/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ALDH1A1 3511/4885CA12 2039/4885CA1 2704/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ALDH1A1 1320/4885CA12 1562/4885CA1 557/4885
US-11970484-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 ALDH1A1 3798/4885CA12 4871/4885CA1 4773/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 ALDH1A1 3993/4885CA12 4873/4885CA1 4785/4885
US-20150322023-A1 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CETP, LIPC, PCSK9 ALDH1A1 3741/4885CA12 4736/4885CA1 4872/4885
US-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ALDH1A1 664/4885CA12 4029/4885CA1 3986/4885

“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.