SCHEMBL4445340

SCHEMBL4445340

O=C(CCl)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.53
HDAC4 P56524 1/20 0.50
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
GSK3B P49841 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OPRM1 P35372 1/20 0.43
TET3 O43151 1/20 0.42
KMT2A Q03164 1/20 0.42
FBXL19 Q6PCT2 1/20 0.42
CXXC5 Q7LFL8 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
CXXC4 Q9H2H0 1/20 0.42
KDM2A Q9Y2K7 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
SCHEMBL3443916 0.93 HDAC4 (0.56) HSD11B1HDAC4ALDH1A1SMN1; SMN2LMNA
SCHEMBL5845670 0.93 HDAC4 (0.60) HSD11B1HDAC4ALDH1A1SMN1; SMN2GAA
SCHEMBL5844319 0.91 HDAC4 (0.58) HSD11B1HDAC4ALDH1A1SMN1; SMN2GAA
SCHEMBL5845417 0.88 ALDH1A1 (0.51) HSD11B1HDAC4ALDH1A1LMNA
SCHEMBL5007609 0.85 HSD11B1 (0.53) HSD11B1HDAC4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4437266 0.83 ALDH1A1 (0.40) HSD11B1HDAC4ALDH1A1SMN1; SMN2GSK3B
SCHEMBL13545175 0.83 HSD11B1 (0.51) HSD11B1HDAC4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1769917 0.83 HSD11B1 (0.51) HSD11B1HDAC4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4435171 0.82 AKR1C1 (0.52) HSD11B1HDAC4ALDH1A1SMN1; SMN2HTT
SCHEMBL8506341 0.81 HDAC4 (0.51) HSD11B1HDAC4ALDH1A1SMN1; SMN2KDM4E

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 HSD11B1 3386/4885HDAC4 2710/4885ALDH1A1 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.