SCHEMBL292708

SCHEMBL292708

CC(C)(C)[Si](C)(C)OCCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 4/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
DUT P33316 2/20 0.30
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
CYP1A2 P05177 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL1712042 1.00 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL292707 1.00 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL592816 0.88 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL2223898 0.88 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL2245757 0.88 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL591257 0.86 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1SMN1; SMN2DUT
SCHEMBL336309 0.85 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2DUT
SCHEMBL335223 0.85 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2DUT
SCHEMBL632976 0.78 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL111369 0.78 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
EP-3458452-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION BUGWORKS RES INC (US) 2023-08-30 EP disclosed
EP-3549930-B1 NOVEL ESTER COMPOUND AND PIN1 INHIBITOR, INFLAMMATORY DISEASE THERAPEUTIC, AND COLON CANCER THERAPEUTIC IN WHICH SAID ESTER COMPOUND IS USED UNIV HIROSHIMA (JP) 2023-07-19 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
US-11203565-B2 Ester compound and PIN1 inhibitor, inflammatory disease therapeutic, and colon cancer therapeutic in which said ester compound is used HIROSHIMA UNIVERSITY (JP) 2021-12-21 US disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
US-10711011-B2 Substituted oxazolidines as anti-bacterial agents Bugworks Research, Inc. (US) 2020-07-14 US disclosed
EP-3549930-A1 NOVEL ESTER COMPOUND AND PIN1 INHIBITOR, INFLAMMATORY DISEASE THERAPEUTIC, AND COLON CANCER THERAPEUTIC IN WHICH SAID ESTER COMPOUND IS USED Hiroshima University (JP) 2019-10-09 EP disclosed
WO-2010041218-A2 OXAZOLIDINYL ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 WO disclosed
US-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2010-02-25 US disclosed
WO-2010015985-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-11 WO disclosed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO disclosed
WO-2009104159-A1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO disclosed
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-23 US disclosed
WO-2009080761-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-02 WO disclosed
WO-2009080769-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-02 WO disclosed
EP-2032551-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-03-11 EP disclosed
WO-2007144423-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2007-12-21 WO 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 (5 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-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS ALDH1A1 1692/4885TSHR 4338/4885MAPK1 2684/4885
US-11203565-B2 Ester compound and PIN1 inhibitor, inflammatory disease therapeutic, and colon cancer therapeutic in which said ester compound is used PIN1, APC, GSKIP ALDH1A1 3207/4885TSHR 4666/4885MAPK1 162/4885
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS ALDH1A1 1692/4885TSHR 4338/4885MAPK1 2684/4885
US-10711011-B2 Substituted oxazolidines as anti-bacterial agents ALPI, HLA-A, HLA-B ALDH1A1 568/4885TSHR 3964/4885MAPK1 1267/4885
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 ALDH1A1 842/4885TSHR 1921/4885MAPK1 2069/4885

“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.