Sugi Predict

Sugi Predict / Compounds / SCHEMBL813469

SCHEMBL813469

SCHEMBL813469

CC(C)(C)c1ccc(I)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.64
▸ ALOX15 P16050 3/20 0.64
▸ HSD17B10 Q99714 3/20 0.64
▸ HPGD P15428 2/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ MAPT P10636 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ PKM P14618 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ RECQL P46063 1/20 0.52
▸ LMNA P02545 2/20 0.46
▸ TYR P14679 2/20 0.46
▸ CYP2D6 P10635 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ GABRA1 P14867 1/20 0.41
▸ GABRB2 P47870 1/20 0.41

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
SCHEMBL30423766 1.00 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5504731 0.87 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL16541767 0.84 ALDH1A1 (0.45) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL848161 0.82 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL29587855 0.82 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL21691223 0.78 ALDH1A1 (0.46) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL50705 0.78 ALDH1A1 (1.00) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL31411213 0.78 ALDH1A1 (0.73) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL29358687 0.78 ALDH1A1 (1.00) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL340013 0.78 ALDH1A1 (0.73) ALDH1A1ALOX15HSD17B10HPGDTDP1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215923-B Macrocyclic broad-spectrum antibiotics 豪夫迈·罗氏有限公司 2026-05-19 — — CN disclosed
CN-117946016-A Triazole aryl polyether compound and CO2Gas-soluble viscosity reducer and thickened oil CO2Cold recovery method for improving recovery ratio 中国石油化工股份有限公司 2024-04-30 — — CN disclosed
WO-2023245297-A1 FERROPTOSIS INHIBITORS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2023-12-28 — — WO disclosed
EP-4289480-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2023-12-13 — — EP disclosed
CN-116143763-A GAS41 targeting compound, GAS41 inhibitor and pharmaceutical composition and application thereof 清华大学 2023-05-23 — — CN disclosed
CN-115215923-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-10-21 — — CN disclosed
CN-114007605-B Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-07-15 — — CN disclosed
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. (US AND US TERRITORIES) 2022-05-05 — — US disclosed
EP-3968983-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2022-03-23 — — EP disclosed
CN-114007605-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-02-01 — — CN disclosed
US-7442808-B2 e.g. 3-(indan-1-yloxy)-8-(oxazolidin-2,4-dion-5-yl)-5,6,7,8-tetrahydroquinoline; with other active ingredients; agonists of G-protein coupled receptor 40 (GPR40); antidiabetic, hypoglycemic agent; non-insulin dependent diabetes, obesity, hyperlipemia MERCK & CO., INC. (US) 2008-10-28 — — US disclosed
EP-1861357-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2007-12-05 — — EP disclosed
US-20070265332-A1 Antidiabetic bicyclic compounds MERCK SHARP & DOHME LLC 2007-11-15 — — US disclosed
US-20070265332-A1 Antidiabetic bicyclic compounds MERCK SHARP & DOHME LLC 2007-11-15 — — US disclosed
US-20070265332-A1 Antidiabetic bicyclic compounds MERCK SHARP & DOHME LLC 2007-11-15 — — US disclosed
EP-1753727-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-02-21 — — EP disclosed
WO-2006101318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-28 — — WO disclosed
US-20050288287-A1 Chiral cis-imidazolines FOTOUHI NADER 2005-12-29 — — US disclosed
WO-2005110996-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2005-11-24 — — WO disclosed
US-4152529-A Dealkylation of halogenated alkyl substituted phenols UOP INC. (US) 1979-05-01 — — 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-20070265332-A1 Antidiabetic bicyclic compounds GPR119, GPR65, FFAR4 ALDH1A1 2576/4885ALOX15 1645/4885HSD17B10 126/4885
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD ALDH1A1 2509/4885ALOX15 2553/4885HSD17B10 2254/4885
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 ALDH1A1 4398/4885ALOX15 4824/4885HSD17B10 4219/4885

“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.