SCHEMBL6843650

SCHEMBL6843650

CCC(Cc1ccc(OCc2ccccc2)cc1)n1ccnc1CC(O)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
ALOX5 P09917 1/20 0.41
LTA4H P09960 4/20 0.40
PPARA Q07869 4/20 0.40
PPARG P37231 3/20 0.40
PPARD Q03181 1/20 0.40
LAP3 P28838 1/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
MAOB P27338 1/20 0.39
EPHX2 P34913 1/20 0.38
HMOX1 P09601 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7254106 0.76 PPARG (0.60) MAPTLTA4HPPARAPPARGPPARD
SCHEMBL7254114 0.76 PPARG (0.60) MAPTLTA4HPPARAPPARGPPARD
SCHEMBL6582625 0.75 LTA4H (0.49) MAPTALOX5LTA4HEPHX2HMOX1
SCHEMBL6583968 0.68 CYP4F2 (0.48) MAPTLTA4HEPHX2FFAR1KDM4E
SCHEMBL357349 0.67 MAOB (0.57) LTA4HPPARAPPARGPPARDLAP3
SCHEMBL360368 0.67 MAOB (0.57) LTA4HPPARAPPARGPPARDLAP3
SCHEMBL9637755 0.67 MAOB (0.59) ALOX5LTA4HPPARAPPARGPPARD
SCHEMBL11685944 0.67 RAB9A (0.61) MAPTLTA4HMAOBEPHX2KMT2A
SCHEMBL10800220 0.67 RAB9A (0.61) MAPTLTA4HMAOBEPHX2KMT2A
SCHEMBL4243613 0.67 LMNA (0.59) MAPTLTA4HPPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058956-A1 Pharmaceutical composition having an improved water solubility TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-25 US 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-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 MAPT 649/4885ALOX5 1328/4885LTA4H 2521/4885

“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.