Sugi Predict

Sugi Predict / Compounds / SCHEMBL5648236

SCHEMBL5648236

SCHEMBL5648236

Oc1ccccc1-c1ccoc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ BCL2L1 Q07817 1/20 0.54
▸ PELI1 Q96FA3 2/20 0.47
▸ IMPDH2 P12268 2/20 0.46
▸ CNR2 P34972 1/20 0.45
▸ ESR2 Q92731 1/20 0.41
▸ ERN1 O75460 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ NAT1 P18440 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL5781695 0.77 IMPDH2 (0.48) ALDH1A1HSD17B10HPGDBCL2L1IMPDH2
SCHEMBL24575063 0.77 PELI1 (0.58) PELI1IMPDH2CNR2ESR2ERN1
SCHEMBL26259973 0.75 IMPDH2 (0.55) ALDH1A1HSD17B10IMPDH2GPR84CYP3A4
SCHEMBL26259960 0.75 IMPDH2 (0.60) ALDH1A1HSD17B10IMPDH2GPR84CYP3A4
SCHEMBL17943321 0.74 MEN1 (0.60) ALDH1A1HSD17B10HPGDMEN1USP2
SCHEMBL2558874 0.74 IMPDH2 (0.46) ALDH1A1HSD17B10IMPDH2ERN1GPR84
SCHEMBL28749556 0.74 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDIMPDH2GPR84
SCHEMBL10035259 0.74 CYP2A6 (0.54) ALDH1A1HSD17B10HPGDIMPDH2GPR84
SCHEMBL395258 0.74 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDIMPDH2GPR84
SCHEMBL28051267 0.74 IMPDH2 (0.47) ALDH1A1HSD17B10HPGDIMPDH2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522128-C Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2009-08-05 — — CN claimed
CN-113736475-B Novel liquid crystal compound and preparation method and application thereof 北京八亿时空液晶科技股份有限公司 2023-05-12 — — CN disclosed
CN-111205301-B Furan [2,3-c ] chromene derivatives and process for preparing the same 安徽师范大学 2023-02-21 — — CN disclosed
CN-111205301-A Furo [2,3-c ] chromene derivative and preparation method thereof 安徽师范大学 2020-05-29 — — CN disclosed
CN-101675060-A Substituted dihydro and tetrahydro oxazolopyrimidinones, their preparation and use SANOFI AVENTIS 2010-03-17 — — CN disclosed
CN-100522128-C Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2009-08-05 — — CN disclosed
CN-101291931-A 9-azabicyclo [3.3.1]nonane derivatives as monoamine reuptake inhibitors ORGANON NV (NL) 2008-10-22 — — CN disclosed
CN-1953730-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-04-25 — — CN disclosed
US-7208505-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-04-24 — — US disclosed
CN-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 — — CN disclosed
US-20050080110-A1 Beta 3 adrenergic agonists SALL DANIEL JON (US) 2005-04-14 — — US disclosed
US-20040242633-A1 Beta3 adrenergic agonists EVERS BRITTA (DE) 2004-12-02 — — US disclosed
EP-1421078-A1 BETA-3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2004-05-26 — — EP disclosed
US-6730792-B2 PYRIDINE DERIVATIVES; ANTIDIABETIC, ANTICHOLESTEROL, AND ANTIINFLAMMATORY AGENTS; DECYCLIZATION, DEETHERIFICATION; OBESITY; RAISES HIGH DENSITY LIPOPROTEINS; LOWERS TRIGLYCERIDE LEVELS ELI LILLY AND COMPANY 2004-05-04 — — US disclosed
US-20030191156-A1 Beta3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2003-10-09 — — US disclosed
CN-1441800-A β3Adrenergic agonists LILLY CO ELI (US) 2003-09-10 — — CN disclosed
EP-1303509-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-23 — — EP disclosed
WO-2003016307-A1 β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-02-27 — — WO disclosed
WO-2002006276-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2002-01-24 — — WO disclosed
US-4265903-A HYPOTENSIVE, ADRENOLYTIC BEIERSDORF AKTIENGESELLSCHAFT (DE) 1981-05-05 — — 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-20030191156-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 ALDH1A1 1255/4885HSD17B10 446/4885HPGD 2008/4885
US-20040242633-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 ALDH1A1 755/4885HSD17B10 469/4885HPGD 2217/4885
US-20050080110-A1 Beta 3 adrenergic agonists ADRB3, ADRB2, ADRB1 ALDH1A1 396/4885HSD17B10 246/4885HPGD 1750/4885

“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.