SCHEMBL5648170

SCHEMBL5648170

CC(C)CCOc1ccc(C(=O)O)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
RARB P10826 2/20 0.52
RARA P10276 1/20 0.52
EPHX2 P34913 1/20 0.49
MAOB P27338 3/20 0.48
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47
NR1H4 Q96RI1 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
MAOA P21397 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL25902779 0.88 MAOB (0.58) MAPK1EPHX2MAOBMAOATDP1
SCHEMBL26028477 0.87 PARP10 (0.54) MAPK1EPHX2MAOBGAAHTT
SCHEMBL4279588 0.85 MAOB (0.50) RARBRARAMAOBNR1H4MAOA
SCHEMBL26028214 0.85 L3MBTL1 (0.49) MAPK1EPHX2MAOBNR1H4GAA
SCHEMBL26022176 0.85 MAPK1 (0.48) MAPK1EPHX2MAOBGAAHTT
SCHEMBL3874777 0.83 RARA (0.63) RARBRARAMAOBHTTMAOA
SCHEMBL7825340 0.83 RARB (0.71) RARBRARAMAOB
SCHEMBL26022183 0.82 CPS1 (0.55) MAPK1
SCHEMBL13162905 0.81 MAPK1 (0.60) MAPK1RARBEPHX2S1PR1S1PR5
SCHEMBL26022184 0.80 CPS1 (0.63) MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
CN-1585751-A Quinoline compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-02-23 CN disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP 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-20050209213-A1 Quinoline compound MC1R, MC2R, TYR MAPK1 1973/4885RARB 701/4885RARA 670/4885

“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.