SCHEMBL981017

SCHEMBL981017

CC(OC(=O)C(O)C(O)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.39
CYP2C19 P33261 2/20 0.32
NFKB1 P19838 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19107076 0.89 TSHR (0.36) TSHRTP53
SCHEMBL19107071 0.89 TSHR (0.36) TSHRTP53
SCHEMBL18895374 0.84 TSHR (0.33) TSHR
SCHEMBL5482220 0.83 TSHR (0.50) TSHRTP53CYP2C19NFKB1
Cadaverine Tartrate SCHEMBL27575429 0.83 TSHR (0.50) TSHRTP53CYP2C19NFKB1
SCHEMBL19119831 0.81 TP53 (0.32) TP53TDP1
SCHEMBL19119417 0.81 TP53 (0.32) TP53TDP1
SCHEMBL23673200 0.80 TP53 (0.50) TSHRTP53CYP2C19CYP1A2GAA
SCHEMBL44463 0.80 TP53 (0.50) TSHRTP53CYP2C19CYP1A2GAA
SCHEMBL8557040 0.80 TP53 (0.50) TSHRTP53CYP2C19CYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052708-A1 NON-REWETTING O/W (OIL IN WATER) EMULSIFICATION SYSTEM FOR HYDROPHOBIC COMPOUNDS ORGANOCLICK AB (SE) 2023-02-16 US claimed
WO-2021118451-A1 NON-REWETTING O/W (OIL IN WATER) EMULSIFICATION SYSTEM FOR HYDROPHOBIC COMPOUNDS ORGANOCLICK AB (SE) 2021-06-17 WO claimed
CN-104127378-A mPEG-SC20K-HM-3 polypeptide injection as well as preparation method and application thereof UNIV CHINA PHARMA 2014-11-05 CN claimed
US-8148402-B2 Isoindolinone derivatives having inhibitory activity against T-type calcium channel and method for preparation thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-04-03 US claimed
US-20230052708-A1 NON-REWETTING O/W (OIL IN WATER) EMULSIFICATION SYSTEM FOR HYDROPHOBIC COMPOUNDS ORGANOCLICK AB (SE) 2023-02-16 US disclosed
EP-4028130-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION Shionogi & Co., Ltd (JP) 2022-07-20 EP disclosed
WO-2021118451-A1 NON-REWETTING O/W (OIL IN WATER) EMULSIFICATION SYSTEM FOR HYDROPHOBIC COMPOUNDS ORGANOCLICK AB (SE) 2021-06-17 WO disclosed
WO-2021050708-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION SHIONOGI & CO., LTD. (JP) 2021-03-18 WO disclosed
CN-104127378-A mPEG-SC20K-HM-3 polypeptide injection as well as preparation method and application thereof UNIV CHINA PHARMA 2014-11-05 CN disclosed
US-7871445-B2 Composition for the oxidation dyeing of keratin fibers comprising at least one nonionic derivative of cellulose with at least one hydrophobic substituent, at least one oxidation base of diaminodiazacyclopentene type, and at least one oxidation coupler, an oxidation dyeing process, and kit L'OREAL S.A. (FR) 2011-01-18 US disclosed
US-20090151090-A1 COMPOSITION FOR THE OXIDATION DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE NONIONIC DERIVATIVE OF CELLULOSE WITH AT LEAST ONE HYDROPHOBIC SUBSTITUENT, AT LEAST ONE OXIDATION BASE OF DIAMINODIAZACYCLOPENTENE TYPE, AND AT LEAST ONE OXIDATION COUPLER, AN OXIDATION DYEING PROCESS, AND KIT L'OREAL S.A. (FR) 2009-06-18 US disclosed
EP-2008658-A1 Synergistic combination of anthranilamide pyridinureas and benzamide derivatives Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-31 EP disclosed
US-20070087981-A1 Water Soluble and Palatable Complexes LAVIPHARM LABORATORIES, INC. (US) 2007-04-19 US disclosed
EP-1367999-A4 WATER SOLUBLE AND PALATABLE COMPLEXES LAVIPHARM LAB INC (US) 2007-04-18 EP disclosed
US-7125564-B2 Water soluble and palatable complexes LAVIPHARM LABORATORIES, INC. (US) 2006-10-24 US disclosed
EP-1367999-A2 WATER SOLUBLE AND PALATABLE COMPLEXES Lavipharm Laboratories, Inc. (US) 2003-12-10 EP disclosed
US-20020147201-A1 Glycyrrhizin complex LAVIPHARM LABORATORIES INC. 2002-10-10 US disclosed
WO-2002074238-A2 WATER SOLUBLE AND PALATABLE COMPLEXES LAVIPHARM LABORATORIES INC. (US) 2002-09-26 WO disclosed
US-6051688-A AMINO ACID SEQUENCE FOR POLYPEPTIDE OF AT LEAST 6 CONTIGUOUS AMINO ACIDS; FOR DIAGNOSIS AND TREATMENT OF NERVOUS SYSTEM DISORDERS; ANTICONVULSANTS; ANTIISCHEMIC/ANTIHYPOXIC AGENTS; ANTIEPILEPTIC AGENTS; ALZHEIMER'S/PARKINSON'S DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-04-18 US disclosed
US-4914125-A (S)-emopamil for the treatment of migraine KNOLL AG (DE) 1990-04-03 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-20020147201-A1 Glycyrrhizin complex CYP4F12, CYP3A5, CYP4F11 TSHR 3976/4885TP53 2587/4885CYP2C19 33/4885
US-20070087981-A1 Water Soluble and Palatable Complexes SI, GCG, GMPS TSHR 3873/4885TP53 1122/4885CYP2C19 217/4885
US-20090151090-A1 COMPOSITION FOR THE OXIDATION DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE NONIONIC DERIVATIVE OF CELLULOSE WITH AT LEAST ONE HYDROPHOBIC SUBSTITUENT, AT LEAST ONE OXIDATION BASE OF DIAMINODIAZACYCLOPENTENE TYPE, AND AT LEAST ONE OXIDATION COUPLER, AN OXIDATION DYEING PROCESS, AND KIT KRT18, AOC1, ODC1 TSHR 4540/4885TP53 2651/4885CYP2C19 2063/4885

“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.