SCHEMBL4444974

SCHEMBL4444974

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.66
BRD4 O60885 1/20 0.46
GSK3B P49841 1/20 0.45
FFAR2 O15552 2/20 0.44
ADRB2 P07550 1/20 0.43
RAB9A P51151 2/20 0.42
GPX4 P36969 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GABBR2 O75899 2/20 0.41
GABBR1 Q9UBS5 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 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
SCHEMBL4436336 0.82 FAAH (0.62) FAAHGSK3BRAB9AKMT2ASMN1; SMN2
SCHEMBL18210585 0.78 FAAH (0.58) FAAHLMNACYP3A4HTT
SCHEMBL18148803 0.78 FAAH (0.42) FAAHBRD4FFAR2ADRB2RAB9A
SCHEMBL12225982 0.77 BRD4 (0.61) BRD4FFAR2ADRB2RAB9APOLB
SCHEMBL121108 0.77 PTGS2 (0.61) BRD4FFAR2ADRB2POLBMEN1
SCHEMBL621292 0.77 BRD4 (0.50) BRD4FFAR2ADRB2RAB9APOLB
SCHEMBL1590331 0.77 PTGS2 (0.61) BRD4FFAR2ADRB2POLBMEN1
SCHEMBL598280 0.77 PTGS2 (0.61) BRD4FFAR2ADRB2POLBMEN1
SCHEMBL15695554 0.77 BRD4 (0.61) BRD4FFAR2ADRB2RAB9APOLB
SCHEMBL4446545 0.77 BRD4 (0.43) FAAHBRD4FFAR2ADRB2RAB9A

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
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 claimed
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 FAAH 1252/4885BRD4 1610/4885GSK3B 4299/4885

“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.