SCHEMBL7911204

SCHEMBL7911204

COC(=O)C1=Cc2ccccc2CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPA1 O75762 7/20 0.43
TSHR P16473 2/20 0.41
PTGS2 P35354 1/20 0.40
ALOX15 P16050 1/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 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
SCHEMBL31090834 1.00 CA12 (0.50) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL7378104 0.90 CA12 (0.48) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL29476751 0.84 CA12 (0.59) CA12CA9TRPA1ALOX15CA2
SCHEMBL5600204 0.84 CA12 (0.59) CA12CA9TRPA1ALOX15CA2
SCHEMBL30544152 0.82 MEN1 (0.41) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL7712683 0.82 TSHR (0.47) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL28512834 0.82 MEN1 (0.41) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL29433567 0.82 TSHR (0.47) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL8344638 0.80 MAOB (0.40) KDM4EALDH1A1HPGDPTGS2NPC1
SCHEMBL18599627 0.79 GAA (0.43) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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
US-10793538-B2 Cycloalkenyl hydroxamic acid derivatives and their use as histone deacetylase inhibitors THE BROAD INSTITUTE, INC. (US) 2020-10-06 US disclosed
US-20180215726-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS THE BROAD INSTITUTE, INC. (US) 2018-08-02 US disclosed
US-9914717-B2 Cycloalkenyl hydroxamic acid derivatives and their use as histone deacetylase inhibitors THE BROAD INSTITUTE, INC. (US) 2018-03-13 US disclosed
US-9914717-B2 Cycloalkenyl hydroxamic acid derivatives and their use as histone deacetylase inhibitors THE BROAD INSTITUTE, INC. (US) 2018-03-13 US disclosed
US-9914717-B2 Cycloalkenyl hydroxamic acid derivatives and their use as histone deacetylase inhibitors THE BROAD INSTITUTE, INC. (US) 2018-03-13 US disclosed
US-20150368221-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS THE BROAD INSTITUTE, INC. 2015-12-24 US disclosed
US-20150368221-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS THE BROAD INSTITUTE, INC. 2015-12-24 US disclosed
US-20150368221-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS THE BROAD INSTITUTE, INC. 2015-12-24 US disclosed
WO-2014100438-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS THE BROAD INSTITUTE, INC. (US) 2014-06-26 WO disclosed
WO-2014100438-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS THE BROAD INSTITUTE, INC. (US) 2014-06-26 WO disclosed
US-7875617-B2 N-[4-(2-methoxyphenyl)piperazin-1-yl)butyl]-3,4-dihydro-6-fluoro-2-naphthamide for treating neuropsychological disorder selected from Parkinson's disease, schizophrenia and depression; partial agonists or antagonists of the dopamine D3 receptor INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-01-25 US disclosed
US-20090124630-A1 3, 4-DIHYDRO-2-NAPHTHAMIDE DERIVATIVES AS SELECTIVE DOPAMINE D3 LIGANDS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-05-14 US disclosed
US-7378552-B2 Monoamine re-uptake inhibitors and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-05-27 US disclosed
US-7378552-B2 Monoamine re-uptake inhibitors and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-05-27 US disclosed
US-6211212-B1 DRUGS WITH AMIDE AND ESTER GROUPS AS ENZYME INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-03 US disclosed
EP-0970062-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 2000-01-12 EP disclosed
WO-1998040056-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1998-09-17 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 (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-20180215726-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC7 CA12 803/4885CA9 455/4885KDM4E 147/4885
US-20150368221-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC7 CA12 794/4885CA9 412/4885KDM4E 152/4885
US-10793538-B2 Cycloalkenyl hydroxamic acid derivatives and their use as histone deacetylase inhibitors HDAC1, HDAC3, HDAC7 CA12 803/4885CA9 455/4885KDM4E 147/4885
US-20090124630-A1 3, 4-DIHYDRO-2-NAPHTHAMIDE DERIVATIVES AS SELECTIVE DOPAMINE D3 LIGANDS DRD3, SLC6A3, DRD2 CA12 4728/4885CA9 4853/4885KDM4E 3894/4885

“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.