SCHEMBL542667

SCHEMBL542667

CCCc1cc(C(=O)OC)cc(CCC)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
XDH P47989 2/20 0.55
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
NFKB1 P19838 1/20 0.55
GFER P55789 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
FUT7 Q11130 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PPARG P37231 3/20 0.52
PPARA Q07869 3/20 0.52
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52

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
SCHEMBL13212709 0.89 KDM4E (0.52) KDM4EXDHLMNAL3MBTL1POLB
SCHEMBL9139580 0.89 PPARG (0.54) KDM4EXDHLMNAL3MBTL1POLB
SCHEMBL3547596 0.89 ALOX5 (0.49) KDM4EXDHLMNAL3MBTL1POLB
SCHEMBL11671459 0.86 KDM4E (0.61) KDM4EXDHLMNAL3MBTL1POLB
SCHEMBL9579726 0.84 CA12 (0.59) LMNACA12CA1CA2CA7
SCHEMBL22062348 0.82 XDH (0.61) KDM4EXDHLMNAL3MBTL1POLB
SCHEMBL11061298 0.81 KDM4E (0.59) KDM4EXDHLMNAL3MBTL1POLB
SCHEMBL542559 0.81 CA1 (0.61) KDM4EXDHLMNAL3MBTL1POLB
SCHEMBL30232935 0.81 CA1 (0.61) KDM4EXDHLMNAL3MBTL1POLB
SCHEMBL12419937 0.79 PPARG (0.50) KDM4EXDHLMNAL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 EP disclosed
WO-1998041515-A1 ENDOTHOLIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-09-24 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 (2 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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 KDM4E 3381/4885XDH 2066/4885LMNA 1674/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR KDM4E 4240/4885XDH 1619/4885LMNA 1288/4885

“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.