SCHEMBL2583288

SCHEMBL2583288

OC(c1ccc(C=C(F)F)cc1)c1ccccc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
SGMS2 Q8NHU3 8/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LIPE Q05469 1/20 0.38
POLB P06746 1/20 0.38
UBE2N P61088 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 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
SCHEMBL2581005 0.87 DRD2 (0.41) DRD2DRD1SGMS2LMNAALDH1A1
SCHEMBL31041187 0.84 SLC6A9 (0.47) DRD2DRD1SGMS2LMNAALDH1A1
SCHEMBL477534 0.83 DRD2 (0.55) DRD2DRD1SGMS2LMNAALDH1A1
SCHEMBL2577406 0.80 LIPE (0.46) DRD2DRD1SGMS2LMNAALDH1A1
SCHEMBL2575133 0.80 DRD2 (0.46) DRD2DRD1SGMS2LMNAALDH1A1
SCHEMBL2578523 0.80 SGMS2 (0.54) DRD2DRD1SGMS2LMNAALDH1A1
SCHEMBL2577640 0.80 SGMS2 (0.54) DRD2DRD1SGMS2LMNAALDH1A1
SCHEMBL2579113 0.79 PPIA (0.46) DRD2DRD1SGMS2LMNAALDH1A1
SCHEMBL1539311 0.79 LIPE (0.45) DRD2DRD1SGMS2LMNAALDH1A1
SCHEMBL2579112 0.77 RXRA (0.46) DRD2DRD1SGMS2LMNAALDH1A1

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 DRD2 1048/4885DRD1 471/4885SGMS2 1112/4885

“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.