SCHEMBL7644358

SCHEMBL7644358

CC(C)(C)OC(=O)Cn1ccc(O)cc1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.54
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 1/20 0.36
FPR2 P25090 5/20 0.35
ESR2 Q92731 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
F11 P03951 1/20 0.34
ELANE P08246 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL16137958 0.84 HDAC6 (0.53) HDAC6KDM4EALDH1A1KMT2AMCHR1
SCHEMBL20592531 0.82 HDAC6 (0.52) HDAC6KDM4EALDH1A1KMT2AMCHR1
SCHEMBL21488666 0.81 HDAC6 (0.51) HDAC6KDM4EALDH1A1KMT2AFPR2
SCHEMBL2609928 0.81 HDAC6 (0.51) HDAC6KDM4EALDH1A1KMT2AFPR2
SCHEMBL18913971 0.80 GSK3A (0.46) KDM4EALDH1A1KMT2AMAPT
SCHEMBL7641512 0.79 MAPK14 (0.62) MCHR1
SCHEMBL5023905 0.78 MCL1 (0.41) HDAC6KDM4EALDH1A1KMT2ALMNA
SCHEMBL28254025 0.78 KDM4E (0.50) HDAC6KDM4EALDH1A1KMT2ALMNA
SCHEMBL7638300 0.77 HDAC6 (0.47) HDAC6KDM4EALDH1A1MCHR1
SCHEMBL7643485 0.76 HDAC6 (0.52) HDAC6KDM4EALDH1A1MCHR1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
EP-2794597-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2014-10-29 EP disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 WO disclosed
US-6465495-B1 INHIBITING DISEASE STATES ASSOCIATED WITH PROTEIN PROTEIN INTERACTION MEDIATED BY A SH2 OR SH3 DOMAIN OR A TYROSINE PHOSPHATASE SUCH AS ALLERGIES, ASTHMA, ANEMIA, AUTOIMMUNE DISEASES, CANCER, INFLAMMATORY DISEASES, OSTEOPOROSIS OSI PHARMACEUTICALS, INC. 2002-10-15 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 (3 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-20150152112-A1 COMPOUNDS F11, F12, F10 HDAC6 1437/4885KDM4E 2446/4885ALDH1A1 1527/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 HDAC6 1437/4885KDM4E 2446/4885ALDH1A1 1527/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 HDAC6 3285/4885KDM4E 1342/4885ALDH1A1 1823/4885

“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.