SCHEMBL4440439

SCHEMBL4440439

CC(=O)OCC(=O)C1(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.47
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
SLC22A1 O15245 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 3/20 0.44
AKR1C1 Q04828 1/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
PRCP P42785 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HSD11B1 P28845 2/20 0.42
ALOX15 P16050 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4436214 0.84 SMN1; SMN2 (0.47) OPRM1ALDH1A1HSD11B1MAPTHPGD
SCHEMBL4439542 0.84 ALDH1A1 (0.36) OPRM1ALDH1A1NPC1MAPTHPGD
SCHEMBL4435186 0.83 ALDH1A1 (0.48) ALDH1A1MAPTHPGDSMN1; SMN2POLB
SCHEMBL4440461 0.78 HDAC4 (0.47) OPRM1OPRK1SLC6A4ALDH1A1NPC1
SCHEMBL4447380 0.78 MAPT (0.51) OPRM1ALDH1A1HSD11B1MAPTSMN1; SMN2
SCHEMBL2440768 0.77 SLC18A3 (0.58) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4441712 0.75 HDAC4 (0.50) ALDH1A1NPC1MAPTHPGDRAB9A
SCHEMBL24309313 0.75 AKR1C1 (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4555582 0.74 AKR1C1 (0.53) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL9194236 0.74 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101646652-A Quinoline derivatives and pharmaceutical compositions comprising them for selectin inhibition WYETH CORP US 2010-02-10 CN disclosed
EP-2134692-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION Wyeth a Corporation of the State of Delaware (US) 2009-12-23 EP disclosed
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins WYETH (US) 2008-10-16 US disclosed
WO-2008121817-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION WYETH (US) 2008-10-09 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 (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-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins VCAM1, ICAM1, SELE OPRM1 630/4885OPRD1 785/4885OPRK1 209/4885

“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.