SCHEMBL47990

SCHEMBL47990

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.42
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 1/20 0.39
FFAR3 O14843 1/20 0.32
GAA P10253 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
SCHEMBL13942557 0.93 SOAT1 (0.37) SOAT1ALDH1A1TDP1TSHR
SCHEMBL26412852 0.91 ALDH1A1 (0.39) SOAT1ALDH1A1TDP1TSHR
SCHEMBL475144 0.89 TSHR (0.43) SOAT1ALDH1A1TDP1TSHRGAA
SCHEMBL19821822 0.88 ALDH1A1 (0.39) SOAT1ALDH1A1TDP1TSHRGAA
SCHEMBL3793443 0.88 ALDH1A1 (0.35) SOAT1ALDH1A1TDP1TSHRFFAR3
SCHEMBL16738135 0.84 ALDH1A1 (0.39) SOAT1ALDH1A1TDP1TSHRGAA
SCHEMBL9638933 0.82 ALDH1A1 (0.44) SOAT1ALDH1A1TDP1TSHR
SCHEMBL4924852 0.82 ALDH1A1 (0.38) ALDH1A1TDP1TSHRGAA
SCHEMBL5136986 0.82 TSHR (0.38) ALDH1A1TDP1TSHRGAA
SCHEMBL2231156 0.82 TSHR (0.43) ALDH1A1TDP1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115939519-A Electrolyte and battery containing same 蜂巢能源科技(无锡)有限公司 2023-04-07 CN claimed
CN-115911561-A Non-aqueous electrolyte of lithium ion battery and lithium ion battery 蜂巢能源科技(无锡)有限公司 2023-04-04 CN claimed
EP-2170897-B1 METHODS FOR ONE-POT N-DEMETHYLATION/N-ACYLATION OF MORPHINE AND TROPANE ALKALOIDS UNIV BROCK (CA) 2013-08-21 EP claimed
EP-2170897-A1 METHODS FOR ONE-POT N-DEMETHYLATION/N-ACYLATION OF MORPHINE AND TROPANE ALKALOIDS Brock University (CA) 2010-04-07 EP claimed
WO-2009003270-A1 METHODS FOR ONE-POT N-DEMETHYLATION/N-ACYLATION OF MORPHINE AND TROPANE ALKALOIDS BROCK UNIVERSITY (CA) 2009-01-08 WO claimed
US-20090005565-A1 METHODS FOR ONE-POT N-DEMETHYLATION/N-ACYLATION OF MORPHINE AND TROPANE ALKALOIDS BROCK UNIVERSITY 2009-01-01 US claimed
US-5750758-A DEHYDRATION OF CARBONIC ACID CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-05-12 US claimed
CN-121570604-A Use of conjugates with ultrasound radiation responsive groups 中国科学院长春应用化学研究所 2026-02-27 CN disclosed
CN-117716282-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, compound and polymer 日产化学株式会社 2024-03-15 CN disclosed
CN-111868031-B Process for the preparation of N-alkoxycarbonylpiperidine derivatives and intermediates therefor 有机合成药品工业株式会社 2023-10-03 CN disclosed
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 US disclosed
US-11742519-B2 Silicon-based energy storage devices with electrolyte additive compounds ENEVATE CORPORATION (US) 2023-08-29 US disclosed
US-11742519-B2 Silicon-based energy storage devices with electrolyte additive compounds ENEVATE CORPORATION (US) 2023-08-29 US disclosed
EP-0908783-A1 Resist compositions, their preparation and use for patterning processes SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-04-14 EP disclosed
WO-1998045757-A9 BLACK-PIGMENTED STRUCTURED HIGH MOLECULAR WEIGHT MATERIAL 1999-03-11 WO disclosed
WO-1998045756-A1 HIGHLY TRANSPARENT, COLOUR-PIGMENTED HIGH MOLECULAR WEIGHT MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-10-15 WO disclosed
WO-1998045757-A1 BLACK-PIGMENTED STRUCTURED HIGH MOLECULAR WEIGHT MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-10-15 WO disclosed
US-5750758-A DEHYDRATION OF CARBONIC ACID CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-05-12 US disclosed
EP-0649846-A1 Galanthamine derivates, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-04-26 EP disclosed
US-5069998-A RADIATION SENSITIVE MIXTURE AND PRODUCTION OF RELIEF PATTERNS BASF AKTIENGESELLSCHAFT (DE) 1991-12-03 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-11742519-B2 Silicon-based energy storage devices with electrolyte additive compounds SOST, CA1, DUOX2 SOAT1 1049/4885ALDH1A1 1727/4885TDP1 2041/4885
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT IDH3A, RCOR1, MUS81 SOAT1 4377/4885ALDH1A1 1038/4885TDP1 2293/4885
US-20090005565-A1 METHODS FOR ONE-POT N-DEMETHYLATION/N-ACYLATION OF MORPHINE AND TROPANE ALKALOIDS HNMT, PNMT, NNMT SOAT1 705/4885ALDH1A1 255/4885TDP1 1193/4885

“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.