SCHEMBL5751048

SCHEMBL5751048

Cc1oc(C(C)C)c(C(=O)O)c1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.43
CSNK1D P48730 2/20 0.39
MAPK14 Q16539 2/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
ANO1 Q5XXA6 1/20 0.37
GCGR P47871 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
APAF1 O14727 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3907291 0.82 GRM6 (0.46) HTTLMNAKMT2AMEN1ALDH1A1
SCHEMBL13791074 0.75 GCGR (0.52) CSNK1DMAPK14MAPK9MAPK10GCGR
SCHEMBL2651071 0.71 GCGR (0.56) GCGR
SCHEMBL13544382 0.70 KMT2A (0.36) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL3916943 0.70 ALDH1A1 (0.50) IDO1HTTLMNAKMT2AMEN1
SCHEMBL27293870 0.70 GCGR (0.49) GCGR
SCHEMBL9857859 0.69 DHODH (0.43) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL8949551 0.68 GAA (0.47) BCL2L1BADHTTLMNAKMT2A
SCHEMBL8880484 0.68 DHODH (0.53) GCGR
SCHEMBL6050868 0.68 PTGS2 (0.53)

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
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP IDO1 1076/4885CSNK1D 554/4885MAPK14 3182/4885

“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.