SCHEMBL4445008

SCHEMBL4445008

CC(=O)OCC(=O)C(C)(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KCNN4 O15554 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL4438599 0.83 GRIN2D (0.44) MAPTKMT2AALDH1A1CYP2C19SMN1; SMN2
SCHEMBL11000391 0.79 ALOX15 (0.55) MAPTKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL10823002 0.77 KMT2A (0.47) MAPTKMT2AALDH1A1CYP2C19HIF1A
SCHEMBL10823000 0.76 KMT2A (0.46) MAPTKMT2AALDH1A1CYP2C19HIF1A
SCHEMBL28602564 0.75 MAPT (0.57) MAPTKMT2AALDH1A1CYP2C19HIF1A
SCHEMBL270134 0.75 MAPT (0.57) MAPTKMT2AALDH1A1CYP2C19HIF1A
SCHEMBL4447460 0.75 KMT2A (0.57) MAPTKMT2AALDH1A1CYP2C19HIF1A
SCHEMBL111213 0.74 ALDH1A1 (0.50) MAPTKMT2AALDH1A1CYP2C19HIF1A
SCHEMBL11003975 0.73 GAA (0.49) MAPTKMT2AALDH1A1CYP2C19SMN1; SMN2
SCHEMBL5331416 0.73 MAPT (0.55) MAPTKMT2AALDH1A1CYP2C19HIF1A

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
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 MAPT 3723/4885KMT2A 3971/4885ALDH1A1 346/4885

“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.