SCHEMBL4440466

SCHEMBL4440466

O=C(CO)C1(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.46
SLC6A3 Q01959 8/20 0.44
EPHX2 P34913 2/20 0.42
SLC6A2 P23975 1/20 0.41
LGMN Q99538 5/20 0.39
CYP3A4 P08684 1/20 0.39
UGCG Q16739 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL1465617 0.82 KMT2A (0.48) SLC6A4SLC6A3EPHX2SLC6A2
SCHEMBL2534042 0.81 OPRL1 (0.50) SLC6A4SLC6A3EPHX2SLC6A2LGMN
SCHEMBL25010550 0.81 EPHX2 (0.45) SLC6A4SLC6A3EPHX2SLC6A2LGMN
SCHEMBL3443934 0.81 SLC6A4 (0.46) SLC6A4SLC6A3EPHX2SLC6A2
SCHEMBL4446502 0.79 THRB (0.50) SLC6A4SLC6A3EPHX2SLC6A2HDAC3
SCHEMBL27925689 0.78 SLC6A4 (0.47) SLC6A4SLC6A3EPHX2SLC6A2
SCHEMBL4436038 0.76 APP (0.45) SLC6A3CYP3A4HDAC1
SCHEMBL19469594 0.76 MEN1 (0.52) SLC6A4SLC6A3EPHX2SLC6A2
SCHEMBL18742598 0.75 OPRL1 (0.48) SLC6A4SLC6A3EPHX2SLC6A2LGMN
SCHEMBL3444085 0.75 SLC6A4 (0.48) SLC6A4SLC6A3EPHX2SLC6A2

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 SLC6A4 2916/4885SLC6A3 2680/4885EPHX2 481/4885

“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.