SCHEMBL270147

SCHEMBL270147

COc1ccc(-c2nc(-c3ccc(OCC(O)CS(=O)(=O)O)cc3O)nc(-c3ccc(OCC(O)CS(=O)(=O)O)cc3O)n2)cc1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
ADRB3 P13945 3/20 0.40
MAPT P10636 6/20 0.39
LMNA P02545 4/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GPR35 Q9HC97 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
HTT P42858 4/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 2/20 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
SCHEMBL5152517 0.99 NPC1 (0.41) NPC1ADRB3MAPTLMNACNR1
SCHEMBL276054 0.95 NPC1 (0.39) NPC1ADRB3MAPTLMNACNR1
SCHEMBL3832554 0.93 LMNA (0.39) NPC1ADRB3MAPTLMNACNR1
SCHEMBL6573392 0.90 ALDH1A1 (0.42) NPC1ADRB3MAPTLMNACA1
SCHEMBL8410298 0.89 NPC1 (0.41) NPC1ADRB3MAPTLMNACNR1
SCHEMBL12311730 0.89 NPC1 (0.34) NPC1ADRB3MAPTLMNACNR1
SCHEMBL6575699 0.88 ADORA2A (0.39) ADRB3MAPTLMNACNR1CNR2
SCHEMBL6575815 0.88 ADORA2A (0.39) ADRB3MAPTLMNACNR1CNR2
SCHEMBL21514725 0.84 NPC1 (0.46) NPC1ADRB3MAPTLMNACNR1
SCHEMBL3832561 0.84 LMNA (0.38) NPC1ADRB3MAPTLMNACNR1

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 428 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
US-20090291141-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS HALLSTAR INNOVATIONS CORP. (US) 2009-11-26 US claimed
US-20090246157-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS HALLSTAR INNOVATIONS CORP. (US) 2009-10-01 US claimed
US-20090208435-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS HALLSTAR INNOVATIONS CORP. (US) 2009-08-20 US claimed
WO-2009020676-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS HALLSTAR INNOVATIONS CORP. (US) 2009-02-12 WO 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
EP-1013263-B1 Cosmetic and dermatologic W/O-emulsion containing boron nitride BEIERSDORF AG (DE) 2006-04-05 EP claimed
US-6368578-B1 MIXTURE BEIERSDORF AG (DE) 2002-04-09 US 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-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
US-6368578-B1 MIXTURE BEIERSDORF AG (DE) 2002-04-09 US disclosed
US-6355230-B2 FOR ULTRAVIOLET-A RADIATION PROTECTION; SOLUBILITY BEIERSDORF AG (DE) 2002-03-12 US disclosed
US-20010026790-A1 Cosmetic and dermatological light protection formulations wirh a content of benzotriazole derivatives and alkyl naphthalates BEIERSDORF AG (DE) 2001-10-04 US disclosed
US-5955060-A COSMETICS AND VETERINARY MEDICINE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-09-21 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 (10 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 NPC1 3727/4885ADRB3 2291/4885MAPT 1951/4885
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives FAAH2, ADH5, NISCH NPC1 1744/4885ADRB3 2021/4885MAPT 2244/4885
US-20020143203-A1 Novel indanylidene compounds CUTA, NISCH, ERCC4 NPC1 1907/4885ADRB3 4128/4885MAPT 934/4885
US-20240216248-A1 MICROBIAL GLYCOLIPIDS UGCG, SGMS1, GPR119 NPC1 1000/4885ADRB3 2581/4885MAPT 4653/4885
US-20240122816-A1 ARTICLES FOR INDIRECT TRANSFER OF COSMETIC ACTIVES TO SKIN CUTA, POLR1C, SLC16A7 NPC1 1614/4885ADRB3 4432/4885MAPT 2389/4885
US-20090208435-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS C1S, CBR3, C9 NPC1 1968/4885ADRB3 231/4885MAPT 4265/4885
US-20240237643-A1 COMPOSITIONS WITH VIRUCIDAL AND/OR ANTIVIRAL ACTIVITY ZC3HAV1, SAMHD1, ZC3HAV1L NPC1 1214/4885ADRB3 2003/4885MAPT 3899/4885
US-20090291141-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS C1S, CBR3, C9 NPC1 2124/4885ADRB3 222/4885MAPT 4256/4885
US-20010026790-A1 Cosmetic and dermatological light protection formulations wirh a content of benzotriazole derivatives and alkyl naphthalates WHR1, WIZ, LBR NPC1 2848/4885ADRB3 2471/4885MAPT 1671/4885
US-20090246157-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS C1S, CBR3, C9 NPC1 2124/4885ADRB3 222/4885MAPT 4256/4885

“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.