SCHEMBL6595680

SCHEMBL6595680

Cc1c(-c2cc3cc(C(=O)Nn4cnc5ccccc54)ccc3o2)oc(=O)c(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA13 Q8N1Q1 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
KMT2A Q03164 4/20 0.36

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
SCHEMBL6592536 0.78 ACHE (0.40) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6595673 0.76 RAB9A (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6591684 0.76 TOP1 (0.53) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6590650 0.75 HPGD (0.51) NPC1RAB9AALDH1A1CYP1A2KMT2A
SCHEMBL6595885 0.74 TP53 (0.46) ALDH1A1CYP1A2CA12CA1CA2
SCHEMBL6590728 0.74 THRB (0.49) NPC1RAB9AALDH1A1CA12CA1
SCHEMBL6596195 0.72 GAA (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6593096 0.71 HDAC6 (0.39) NPC1RAB9AALDH1A1ALOX15HDAC6
SCHEMBL6596160 0.71 NT5E (0.49) CA12CA1CA2CA4CA5A
SCHEMBL6589647 0.71 LIPE (0.36) KMT2AMEN1TP53

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 NPC1 512/4885RAB9A 4399/4885ALDH1A1 1272/4885

“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.