SCHEMBL6590654

SCHEMBL6590654

CC(C(=O)O)C(=O)C(C)C(=O)c1cc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
FLT3 P36888 1/20 0.54
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.49
TP53 P04637 4/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
HSD17B10 Q99714 1/20 0.48
HPGD P15428 3/20 0.48
TAS1R3 Q7RTX0 1/20 0.48

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
SCHEMBL5163106 0.92 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AL3MBTL1FLT3
SCHEMBL6597916 0.85 TAS1R3 (0.56) ALDH1A1NPC1RAB9AL3MBTL1FLT3
SCHEMBL7030373 0.81 FLT3 (0.65) ALDH1A1NPC1RAB9AL3MBTL1FLT3
SCHEMBL5164259 0.81 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AL3MBTL1FLT3
SCHEMBL30905629 0.78 FLT3 (0.61) ALDH1A1NPC1RAB9AL3MBTL1FLT3
SCHEMBL6753144 0.78 FLT3 (0.53) ALDH1A1NPC1RAB9AL3MBTL1FLT3
SCHEMBL5161483 0.78 TAS1R3 (0.59) ALDH1A1NPC1RAB9AL3MBTL1FLT3
SCHEMBL30457810 0.77 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AL3MBTL1FLT3
SCHEMBL30905600 0.77 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AL3MBTL1FLT3
Hydrochloric Acid SCHEMBL30905611 0.76 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AL3MBTL1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 EP disclosed
US-20030186976-A1 Benzofurylpyrone derivatives TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2003-10-02 US disclosed
US-6589984-B1 Blood cholesterol and triglycerides (TG) themselves are generally insoluble in blood, and they exist as lipoproteins by binding with apolipoproteins. In the body, triglycerides are biosynthesized primarily in the liver from acetyl CoA as TEIJIN LIMITED (JP) 2003-07-08 US disclosed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 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-20030186976-A1 Benzofurylpyrone derivatives PLIN5, ACSL5, PLIN1 ALDH1A1 1272/4885NPC1 512/4885RAB9A 4399/4885

“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.