SCHEMBL2575997

SCHEMBL2575997

Oc1ccccc1Cc1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.60
HSPA5 P11021 1/20 0.54
KEAP1 Q14145 1/20 0.53
ALOX5 P09917 2/20 0.50
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
TAAR1 Q96RJ0 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DAO P14920 1/20 0.43
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL8607999 0.86 HSPA5 (0.65) MPOHSPA5KEAP1ALOX5BCL2
SCHEMBL8707811 0.84 MPO (0.68) MPOTAAR1DAO
SCHEMBL2091696 0.81 TAAR1 (0.52) MPOTAAR1DAOIDO1AGXT
SCHEMBL921907 0.81 KEAP1 (0.62) HSPA5KEAP1ALOX5BCL2BCL2L1
SCHEMBL28631519 0.80 MAOB (0.45) MPOTAAR1HCAR2MEN1CYP3A4
SCHEMBL13256353 0.79 HSPA5 (0.61) HSPA5KEAP1ALOX5BCL2BCL2L1
SCHEMBL16191018 0.79 TAAR1 (0.50) MPOTAAR1DAOIDO1AGXT
SCHEMBL2577181 0.79 KEAP1 (0.70) MPOHSPA5KEAP1ALOX5BCL2
SCHEMBL29057939 0.78 TAAR1 (0.44) MPOTAAR1MEN1HPGDKMT2A
SCHEMBL27369620 0.78 HSPA5 (0.54) HSPA5KEAP1ALOX5BCL2BCL2L1

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 5 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
CN-101010276-B Cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing same CHUGAI PHARMACEUTICAL CO LTD 2011-01-12 CN 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
CN-101010276-A Novel cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing the same CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-08-01 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes SLC5A1, GPR119, SLC5A2 MPO 2805/4885HSPA5 2445/4885KEAP1 901/4885

“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.