Sugi Predict

Sugi Predict / Compounds / SCHEMBL580177

SCHEMBL580177

SCHEMBL580177

COc1ccc(-c2nc(-c3cccc(OCC(O)COC(C)C)c3O)nc(-c3cccc(OCC(O)COC(C)C)c3O)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 1/20 0.48
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CASR P41180 2/20 0.37
▸ HIF1A Q16665 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL30996060 0.93 NR2E1 (0.46) NR2E1KMT2AMEN1NPC1CYP2D6
SCHEMBL580178 0.86 MEN1 (0.39) KMT2AMEN1NPC1CYP2D6MAPT
SCHEMBL4656279 0.82 KMT2A (0.40) KMT2AMEN1NPC1CYP2D6MAPT
SCHEMBL276044 0.81 NPC1 (0.43) KMT2AMEN1NPC1MAPTTP53
SCHEMBL7887568 0.80 MAPT (0.42) NR2E1KMT2AMEN1NPC1MAPT
SCHEMBL12216378 0.79 MEN1 (0.56) KMT2AMEN1NPC1MAPTSMN1; SMN2
SCHEMBL4554162 0.77 TDP1 (0.41) KMT2AMEN1NPC1MAPTSMN1; SMN2
SCHEMBL5163603 0.75 KMT2A (0.40) KMT2AMEN1NPC1MAPTSMN1; SMN2
SCHEMBL3833773 0.74 LMNA (0.40) KMT2AMEN1NPC1MAPTTP53
SCHEMBL13299334 0.74 MEN1 (0.52) KMT2AMEN1NPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099342-A1 COOLING PRODUCT SYMRISE AG (DE) 2019-04-04 — — US claimed
WO-2007110415-A2 USE OF DIACETYL TRIMERS AND COSMETIC OR THERAPEUTIC FORMULATIONS CONTAINING THESE COMPOUNDS SYMRISE GMBH & CO. KG (DE) 2007-10-04 — — WO claimed
US-20240237643-A1 COMPOSITIONS WITH VIRUCIDAL AND/OR ANTIVIRAL ACTIVITY SYMRISE AG (DE) 2024-07-18 — — US disclosed
US-20240216248-A1 MICROBIAL GLYCOLIPIDS ANALYTICON DISCOVERY GMBH (DE) 2024-07-04 — — US disclosed
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives SYMRISE AG (DE) 2024-07-02 — — US disclosed
US-12016944-B2 Mixtures comprising a protein extract for the treatment of human skin and/or hair SYMRISE AG (DE) 2024-06-25 — — US disclosed
EP-4373462-A1 COMPOSITIONS OF DICAFFEOYLQUINIC ACIDS WITH TOCOPHEROL Symrise AG (DE) 2024-05-29 — — EP disclosed
US-20240122816-A1 ARTICLES FOR INDIRECT TRANSFER OF COSMETIC ACTIVES TO SKIN SYMRISE AG (DE) 2024-04-18 — — US disclosed
US-20240122834-A1 MEDICAMENT FOR PREVENTION AND TREATMENT OF HYPERPIGMENTATION SYMRISE AG (DE) 2024-04-18 — — US disclosed
US-11938208-B2 Antimicrobial mixture SYMRISE AG (DE) 2024-03-26 — — US disclosed
EP-3664772-B1 1,2-ALKANEDIOLS AND A PROCESS FOR THEIR PRODUCTION SYMRISE AG (DE) 2024-03-20 — — EP disclosed
EP-1326955-B1 MULTI-PHASE SOAP SYMRISE GMBH & CO KG (DE) 2004-12-22 — — EP disclosed
EP-1341752-B1 NOVEL INDANYLIDENE COMPOUNDS SYMRISE GMBH & CO KG (DE) 2004-08-04 — — EP disclosed
US-6673756-B2 MULTILAYER; CUTTING, JOINING UNDER PRESSURE SYMRISE GMBH & CO. KG (DE) 2004-01-06 — — US disclosed
WO-2003092643-A1 LIGHT-PROTECTION FORMULATIONS USING ACRYLONITRILE DERIVATIVES SYMRISE GMBH & CO. KG (DE) 2003-11-13 — — WO disclosed
WO-2003084496-A1 LIGHT-PROTECTIVE PREPARATIONS CONTAINING A PHOTOSTABLE UV-A FILTER SYMRISE GMBH & CO. KG (DE) 2003-10-16 — — WO disclosed
EP-1326955-A1 MULTI-PHASE SOAP HAARMANN & REIMER GMBH (DE) 2003-07-16 — — EP disclosed
US-20020173436-A1 Multilayer; cutting, joining under pressure SYMRISE GMBH & CO. KG (DE) 2002-11-21 — — US disclosed
US-20020143203-A1 Novel indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2002-10-03 — — US disclosed
WO-2002024857-A1 MULTI-PHASE SOAP HAARMANN & REIMER GMBH (DE) 2002-03-28 — — WO 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 (8 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-20190099342-A1 COOLING PRODUCT TRPA1, TRPV2, NISCH NR2E1 3496/4885KMT2A 3826/4885MEN1 1093/4885
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives FAAH2, ADH5, NISCH NR2E1 973/4885KMT2A 3181/4885MEN1 3838/4885
US-20240122834-A1 MEDICAMENT FOR PREVENTION AND TREATMENT OF HYPERPIGMENTATION MC1R, OR51E2, TYR NR2E1 794/4885KMT2A 4263/4885MEN1 3943/4885
US-20020143203-A1 Novel indanylidene compounds CUTA, NISCH, ERCC4 NR2E1 962/4885KMT2A 3196/4885MEN1 2511/4885
US-20240216248-A1 MICROBIAL GLYCOLIPIDS UGCG, SGMS1, GPR119 NR2E1 1195/4885KMT2A 2648/4885MEN1 2789/4885
US-20240122816-A1 ARTICLES FOR INDIRECT TRANSFER OF COSMETIC ACTIVES TO SKIN CUTA, POLR1C, SLC16A7 NR2E1 3475/4885KMT2A 679/4885MEN1 2879/4885
US-11938208-B2 Antimicrobial mixture GNPAT, GMDS, DDOST NR2E1 3143/4885KMT2A 4755/4885MEN1 4312/4885
US-20240237643-A1 COMPOSITIONS WITH VIRUCIDAL AND/OR ANTIVIRAL ACTIVITY ZC3HAV1, SAMHD1, ZC3HAV1L NR2E1 1042/4885KMT2A 3922/4885MEN1 4207/4885

“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.