Sugi Predict

Sugi Predict / Compounds / SCHEMBL2742471

SCHEMBL2742471

SCHEMBL2742471

CC(=O)Cc1c2c(O)c(O)ccc2cc2[n+]1CCc1cc3c(cc1-2)OCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 2/20 0.46
▸ IDO1 P14902 2/20 0.40
▸ METTL3 Q86U44 1/20 0.39
▸ METTL14 Q9HCE5 1/20 0.39
▸ XBP1 P17861 2/20 0.39
▸ BCHE P06276 3/20 0.39
▸ ACHE P22303 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ADRA2B P18089 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ RXRA P19793 2/20 0.39
▸ DRD1 P21728 2/20 0.39
▸ HTR2B P41595 2/20 0.39

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
SCHEMBL2742519 0.83 BCHE (0.55) CYP1B1IDO1BCHEACHEALDH1A1
SCHEMBL14513579 0.69 BCHE (0.60) CYP1B1IDO1BCHEACHEALDH1A1
SCHEMBL2882394 0.69 CYP1B1 (0.74) CYP1B1IDO1METTL3METTL14BCHE
SCHEMBL14513586 0.68 BCHE (0.58) CYP1B1IDO1BCHEACHEALDH1A1
SCHEMBL14513583 0.67 BCHE (0.57) CYP1B1IDO1BCHEACHEALDH1A1
SCHEMBL26192146 0.65 CYP1B1 (0.75) CYP1B1IDO1METTL3METTL14BCHE
SCHEMBL14513581 0.65 BCHE (0.63) CYP1B1IDO1BCHEACHEALDH1A1
SCHEMBL14513580 0.65 BCHE (0.63) CYP1B1IDO1BCHEACHEALDH1A1
SCHEMBL14793458 0.65 BCHE (0.54) CYP1B1IDO1METTL3METTL14BCHE
SCHEMBL26312258 0.65 IDO1 (0.55) CYP1B1IDO1METTL3METTL14XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815900-B2 Compounds and compositions for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-08-26 — — US disclosed
US-8710071-B2 Compounds, compositions and methods for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-04-29 — — US disclosed
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2012-01-05 — — US disclosed
US-20110269754-A1 COMPOUNDS AND COMPOSITIONS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2011-11-03 — — US disclosed
US-8003795-B2 Compounds and compositions for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2011-08-23 — — US disclosed
US-20090048246-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2009-02-19 — — 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 (3 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-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, LDLR, PCSK9 CYP1B1 2054/4885IDO1 4678/4885METTL3 4091/4885
US-20110269754-A1 COMPOUNDS AND COMPOSITIONS FOR REDUCING LIPID LEVELS LIPC, LIPE, BCHE CYP1B1 1739/4885IDO1 4656/4885METTL3 1271/4885
US-20090048246-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, BCHE, LIPE CYP1B1 1911/4885IDO1 4541/4885METTL3 1202/4885

“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.