SCHEMBL6067595

SCHEMBL6067595

C=CCCCCC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.47
MAPK1 P28482 3/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
USP2 O75604 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 3/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 2/20 0.40
ABCC4 O15439 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
SCHEMBL7074449 0.98 MAPT (0.49) L3MBTL1MAPK1MAPTALDH1A1USP2
SCHEMBL9453302 0.98 MAPT (0.49) L3MBTL1MAPK1MAPTALDH1A1USP2
SCHEMBL7224713 0.98 MAPT (0.49) L3MBTL1MAPK1MAPTALDH1A1USP2
SCHEMBL2207325 0.94 L3MBTL1 (0.48) L3MBTL1MAPK1MAPTALDH1A1USP2
SCHEMBL15445274 0.89 ALDH1A1 (0.47) L3MBTL1MAPK1MAPTALDH1A1USP2
SCHEMBL8342328 0.87 TDP1 (0.44) L3MBTL1MAPK1MAPTALDH1A1USP2
SCHEMBL2203256 0.86 L3MBTL1 (0.43) L3MBTL1MAPK1MAPTALDH1A1USP2
Malonic Acid SCHEMBL6827749 0.86 TDP1 (0.44) L3MBTL1MAPK1MAPTALDH1A1USP2
SCHEMBL11655565 0.84 TDP1 (0.56) L3MBTL1MAPK1MAPTALDH1A1TDP1
SCHEMBL3113134 0.84 MAPT (0.45) L3MBTL1MAPK1MAPTALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538526-B1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-04-10 EP disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
CN-110167934-B Cyclobutane-and azetidine-containing monocyclic and spiro compounds as alpha V integrin inhibitors 百时美施贵宝公司 2022-06-10 CN disclosed
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-25 US disclosed
EP-3538526-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-05 US disclosed
WO-2018089355-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2006100606-A2 PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION WARNER-LAMBERT COMPANY LLC (US) 2006-09-28 WO disclosed
CN-1238347-C Heterocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2006-01-25 CN disclosed
WO-2004076425-A1 IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS CARNEGIE MELLON UNIVERSITY (US) 2004-09-10 WO disclosed
CN-1430612-A Hete rocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2003-07-16 CN disclosed
EP-0666262-B1 Optically active compound, liquid crystal containing the same, liquid crystal device and display method using the same CANON KK (JP) 2000-08-30 EP disclosed
US-5849217-A Optically active compound, liquid crystal composition containing the same, liquid crystal device using the same, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1998-12-15 US disclosed
EP-0666262-A1 Optically active compound, liquid crystal containing the same, liquid crystal device and display method using the same CANON KABUSHIKI KAISHA (JP) 1995-08-09 EP disclosed
US-5141921-A Natural, synthetic oils and 3-methyl-2-hexenoic acid and/or 7-octenoic acid; sedatives, stimulants TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-08-25 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 (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-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 L3MBTL1 4413/4885MAPK1 1630/4885MAPT 1177/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 L3MBTL1 4419/4885MAPK1 1800/4885MAPT 1315/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 L3MBTL1 4326/4885MAPK1 1812/4885MAPT 864/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 L3MBTL1 4426/4885MAPK1 1740/4885MAPT 738/4885

“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.