SCHEMBL775104

SCHEMBL775104

CC(C)(C)OC(C)(C)C.[Na]

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8913 0.94
Potassium SCHEMBL183183 0.89 ALDH1A1 (0.42) ALDH1A1TSHRTDP1
Lithium SCHEMBL775306 0.89 ALDH1A1 (0.42) ALDH1A1TSHRTDP1
SCHEMBL6504995 0.89 TSHR (0.55) ALDH1A1TSHRTDP1
SCHEMBL31678023 0.89 ALDH1A1 (0.42) ALDH1A1TSHRTDP1
Methane SCHEMBL30637 0.89 ALDH1A1 (0.42) ALDH1A1TSHRTDP1
Ethane SCHEMBL353672 0.89 ALDH1A1 (0.42) ALDH1A1TSHRTDP1
SCHEMBL30933076 0.89 ALDH1A1 (0.42) ALDH1A1TSHRTDP1
Water SCHEMBL8067978 0.89 ALDH1A1 (0.42) ALDH1A1TSHRTDP1
SCHEMBL15652979 0.89 ALDH1A1 (0.42) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116462165-A Preparation method of lithium bis (fluorosulfonyl) imide 湖北兴发化工集团股份有限公司 2023-07-21 CN claimed
EP-3452465-B1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2020-11-04 EP claimed
EP-3196185-B1 ASYMMETRICAL HYDROGENATION REACTION OF KETONIC ACID COMPOUND ZHEJIANG JIUZHOU PHARMA SCIENCE & TECH CO LTD (CN) 2019-06-12 EP claimed
US-10112884-B2 Asymmetrical hydrogenation reaction of ketonic acid compound ZHEJIANG JIUZHOU PHARMA SCIENCE & TECH CO LTD (CN) 2018-10-30 US claimed
US-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound ZHEJIANG JIUZHOU PHARMA SCIENCE&TECHNOLOGY CO LTD (CN) 2017-09-14 US claimed
EP-3196185-A1 ASYMMETRICAL HYDROGENATION REACTION OF KETONIC ACID COMPOUND Zhejiang Jiuzhou Pharma Science & Technology Co., Ltd. (CN) 2017-07-26 EP claimed
WO-2003042148-A2 PROCESS FOR PRODUCING BISBENZIL COMPOUNDS SHOWA DENKO K. K. (JP) 2003-05-22 WO claimed
WO-1993010076-A1 SYNTHESIS AND OPTICAL RESOLUTION OF THE TAXOL SIDE CHAIN AND RELATED COMPOUNDS THE UNIVERSITY OF MISSISSIPPI (US) 1993-05-27 WO claimed
US-20260130872-A1 Substituted Bicyclic Compounds, Compositions and Methods of Use DEEP APPLE THERAPEUTICS, INC. (US) 2026-05-14 US disclosed
EP-3854786-B1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES UBE CORP (JP) 2026-02-18 EP disclosed
US-20250326758-A1 RICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2025-10-23 US disclosed
EP-4061813-B1 PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-06-04 EP disclosed
US-20250129085-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA INC (US) 2025-04-24 US disclosed
US-12281074-B2 Method for producing amino acid derivatives UBE CORPORATION (JP) 2025-04-22 US disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
EP-1208096-A1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY Bayer Corporation (US) 2002-05-29 EP disclosed
WO-2001010859-A1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORPORATION (US) 2001-02-15 WO disclosed
WO-1993010076-A1 SYNTHESIS AND OPTICAL RESOLUTION OF THE TAXOL SIDE CHAIN AND RELATED COMPOUNDS THE UNIVERSITY OF MISSISSIPPI (US) 1993-05-27 WO disclosed
US-4107153-A Heat-resistant thermosetting polyimide resin TOSHIBA CHEMICAL PRODUCTS CO., LTD. (JP) 1978-08-15 US disclosed
US-4097545-A Heat-resistant thermosetting polyimide resin with bis-phenol-epichlorohydrin reaction product TOSHIBA CHEMICAL PRODUCTS CO. LTD. (JA) 1978-06-27 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 (6 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-20260130872-A1 Substituted Bicyclic Compounds, Compositions and Methods of Use GIPR, GLP1R, SIGMAR1 ALDH1A1 3287/4885TSHR 75/4885TDP1 3031/4885
US-20250129085-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ALDH1A1 3433/4885TSHR 956/4885TDP1 504/4885
US-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound KHK, PKLR, BCKDK ALDH1A1 2109/4885TSHR 870/4885TDP1 4619/4885
US-20250326758-A1 RICYCLIC HETEROARYL DERIVATIVES AR, CYP1B1, CYP1A1 ALDH1A1 299/4885TSHR 2216/4885TDP1 3819/4885
US-12281074-B2 Method for producing amino acid derivatives PTGS2, PTGES, PTGES2 ALDH1A1 1057/4885TSHR 3320/4885TDP1 3836/4885
US-10112884-B2 Asymmetrical hydrogenation reaction of ketonic acid compound KHK, PKLR, BCKDK ALDH1A1 2109/4885TSHR 870/4885TDP1 4619/4885

“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.