SCHEMBL2574075

SCHEMBL2574075

O=C(c1ccc(C2CC2)cc1)c1ccncc1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.47
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 4/20 0.42
P2RX1 P51575 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
LIG1 P18858 1/20 0.37
DEGS1 O15121 1/20 0.36
MAPT P10636 1/20 0.36
ACMSD Q8TDX5 1/20 0.36

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
SCHEMBL4851477 0.76 KDM4C (0.43) KDM4CALDH1A1L3MBTL1NAMPTHDAC8
SCHEMBL28255112 0.76 KDM4C (0.47) KDM4CALDH1A1L3MBTL1P2RX1MAPT
SCHEMBL7357954 0.74 HDAC8 (0.53) ALDH1A1HDAC8HDAC6HDAC1HDAC3
SCHEMBL4849875 0.74 SMN1; SMN2 (0.50) KDM4CALDH1A1DEGS1MAPT
SCHEMBL4859648 0.71 KDM4C (0.45) KDM4CMAPT
SCHEMBL11593501 0.69 NAMPT (0.64) ALDH1A1L3MBTL1NAMPTHDAC8HDAC6
SCHEMBL28033379 0.68 ESR2 (0.61) ALDH1A1HDAC8HDAC6HDAC1HDAC3
SCHEMBL22426344 0.67 P2RX1 (0.40) KDM4CALDH1A1L3MBTL1P2RX1MAPT
SCHEMBL8651491 0.67 P2RX1 (0.43) KDM4CALDH1A1L3MBTL1P2RX1MAPT
SCHEMBL29822292 0.67 KDM4C (0.61) KDM4CALDH1A1L3MBTL1P2RX1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048897-B2 Cyclohexane derivative, prodrug thereof and salt thereof, and therapeutic agent containing the same for diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-01 US disclosed
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-12-25 US disclosed
US-7439232-B2 Heteroaryl 5-thio-β-D-glucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-10-21 US disclosed
EP-1783110-A1 NOVEL CYCLOHEXANE DERIVATIVE, PRODRUG THEREOF AND SALT THEREOF, AND THERAPEUTIC AGENT CONTAINING THE SAME FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-09 EP disclosed
US-20060194809-A1 Heteroaryl 5-thio-beta-d-gucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1609799-A1 HETEROARYL 5-THIO-BETA-D-GLUCOPYRANOSIDE DERIVATIVES AND REMEDIES FOR DIABETES CONTAINING THE SAME TAISHO PHARMACEUTICAL CO., LTD (JP) 2005-12-28 EP 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-20060194809-A1 Heteroaryl 5-thio-beta-d-gucopyranoside derivatives and therapeutic agents for diabetes containing the same SLC5A2, SLC5A1, UGGT1 KDM4C 4047/4885ALDH1A1 815/4885L3MBTL1 3504/4885
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes SLC5A1, GPR119, SLC5A2 KDM4C 2345/4885ALDH1A1 296/4885L3MBTL1 1828/4885

“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.