SCHEMBL2576253

SCHEMBL2576253

CON(C)C(=O)c1ccc(C2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.50
CYP2C9 P11712 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HSD11B1 P28845 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MCHR1 Q99705 1/20 0.38
ESR2 Q92731 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MAOA P21397 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5526989 0.80 LSS (0.48) MLYCDALDH1A1LMNAHSD11B1MCHR1
SCHEMBL21628489 0.77 HPGD (0.71) CYP2C9HDAC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17064462 0.76 MLYCD (0.35) MLYCDHSD11B1HSD17B1HSD17B2
SCHEMBL870352 0.76 MLYCD (0.57) MLYCDHDAC6HDAC1ALDH1A1MAPT
SCHEMBL1303906 0.76 MLYCD (0.57) MLYCDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL22531823 0.76 MLYCD (0.57) MLYCDALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL1012521 0.76 MLYCD (0.57) MLYCDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL17261738 0.75 SLC6A3 (0.40) LMNAHPGDHSD17B1HSD17B2RAB9A
SCHEMBL22878622 0.75 SLC6A3 (0.40) MLYCDALDH1A1HSD11B1
SCHEMBL5138755 0.75 GPR119 (0.50) ALDH1A1LMNAHSD11B1HPGDGPR119

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 3 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
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 MLYCD 2363/4885CYP2C9 289/4885HDAC8 376/4885

“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.