SCHEMBL6909304

SCHEMBL6909304

CCCCCC(=O)OCC(O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.56
MAPT P10636 1/20 0.55
LMNA P02545 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
DUSP3 P51452 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CERT1 Q9Y5P4 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 3/20 0.48
ACER2 Q5QJU3 1/20 0.48
LPAR6 P43657 1/20 0.47
LPAR1 Q92633 1/20 0.47
LPAR4 Q99677 1/20 0.47
LPAR5 Q9H1C0 1/20 0.47
LPAR2 Q9HBW0 1/20 0.47
LPAR3 Q9UBY5 1/20 0.47

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
SCHEMBL28604790 0.89 LMNA (0.48) ASAH1MAPTLMNANPC1RAB9A
SCHEMBL28191333 0.85 MAPT (0.55) ASAH1MAPTLMNAKDM4EDUSP3
SCHEMBL27618919 0.84 TLR2 (0.53) ASAH1MAPTLMNAKDM4EDUSP3
SCHEMBL28191989 0.84 MAPT (0.58) ASAH1MAPTLMNAKDM4EDUSP3
SCHEMBL28377436 0.84 MAPT (0.58) ASAH1MAPTLMNAKDM4EDUSP3
SCHEMBL28384042 0.84 MAPT (0.58) ASAH1MAPTLMNAKDM4EDUSP3
SCHEMBL28378432 0.84 MAPT (0.58) ASAH1MAPTLMNAKDM4EDUSP3
SCHEMBL28886779 0.84 MAPT (0.58) ASAH1MAPTLMNAKDM4EDUSP3
SCHEMBL29256503 0.83 MAPT (0.50) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL29256502 0.83 MAPT (0.50) MAPTLMNAKDM4EDUSP3MEN1

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
CN-1982284-A Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof SUMIKA FINE CHEMICALS CO LTD (JP) 2007-06-20 CN disclosed
US-6683207-B2 RESOLUTION USING 1-AMINO-1-PHENYLETHANE DERIVATIVE SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-01-27 US disclosed
US-20030176507-A1 Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-09-18 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-20030176507-A1 Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof HAAO, HPD, HAO2 ASAH1 1130/4885MAPT 3351/4885LMNA 4378/4885

“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.