SCHEMBL4437285

SCHEMBL4437285

CC(C)(C(=O)CCl)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 1/20 0.46
MIF P14174 1/20 0.46
GSK3B P49841 1/20 0.45
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR1 P21554 1/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL19578313 0.84 MEN1 (0.48) KMT2AMEN1POLBMIFCYP1A2
SCHEMBL4447460 0.83 KMT2A (0.57) KMT2APOLBGSK3BCYP1A2CYP2C19
SCHEMBL20176099 0.82 KMT2A (0.52) KMT2AMEN1POLBMIFGSK3B
SCHEMBL1770074 0.82 GSK3B (0.47) KMT2AMEN1POLBMIFGSK3B
SCHEMBL8160579 0.79 MEN1 (0.56) KMT2AMEN1POLBMIFCYP1A2
SCHEMBL19433308 0.78 MEN1 (0.42) KMT2AMEN1POLBMIFCYP1A2
SCHEMBL15778696 0.78 GRIN2D (0.45) KMT2AMEN1POLBMIFCYP1A2
SCHEMBL3443562 0.77 MEN1 (0.54) KMT2AMEN1POLBMIFCYP1A2
SCHEMBL697244 0.77 MAP4K4 (0.55) KMT2AMEN1POLBMIFCYP1A2
SCHEMBL3413489 0.77 MEN1 (0.54) KMT2AMEN1POLBMIFCYP1A2

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 KMT2A 3971/4885MEN1 4659/4885POLB 4548/4885

“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.