SCHEMBL224144

SCHEMBL224144

COCCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CA14 Q9ULX7 1/20 0.36
PDK2 Q15119 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CTSK P43235 2/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
TRPV4 Q9HBA0 1/20 0.33
MAPK1 P28482 1/20 0.33
GBA1 P04062 1/20 0.32
METAP2 P50579 1/20 0.32
TSHR P16473 1/20 0.32
DGAT1 O75907 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL26494348 0.90 L3MBTL1 (0.36) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL1714516 0.89 PDK2 (0.40) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL26494358 0.85 L3MBTL1 (0.33) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL2798057 0.84 ALDH1A1 (0.40) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL25459027 0.83 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14ALDH1A1
SCHEMBL4907545 0.83 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL25489016 0.83 CA14 (0.51) HDAC6HDAC1HDAC2CA14ALDH1A1
SCHEMBL21069512 0.83 L3MBTL1 (0.34) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL22957198 0.82 PDK2 (0.37) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL19699856 0.82 DRD2 (0.36) HDAC6HDAC1HDAC2CA14PDK2

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
CN-115722266-B Azacarbene-amino-ruthenium catalyst, and preparation method and application thereof 广东药科大学 2024-04-05 CN disclosed
US-20230312473-A1 PROCESS FOR THE PREPARATION OF BIHETEROARYL COMPOUNDS AND CRYSTAL FORMS THEREOF GENENTECH, INC. (US) 2023-10-05 US disclosed
CN-115722266-A Novel aza-carbene-amido-ruthenium catalyst and preparation method and application thereof 广东药科大学 2023-03-03 CN disclosed
WO-2022140472-A1 COMPOUNDS FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEOSOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 US disclosed
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 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 (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-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 HDAC6 330/4885HDAC1 502/4885HDAC2 536/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 HDAC6 2048/4885HDAC1 128/4885HDAC2 297/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HDAC6 330/4885HDAC1 502/4885HDAC2 536/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HDAC6 2189/4885HDAC1 157/4885HDAC2 450/4885
US-20230312473-A1 PROCESS FOR THE PREPARATION OF BIHETEROARYL COMPOUNDS AND CRYSTAL FORMS THEREOF NONO, PNPO, KMO HDAC6 3253/4885HDAC1 1925/4885HDAC2 1757/4885

“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.