SCHEMBL1939142

SCHEMBL1939142

CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.[HH]

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1003381 0.96 TSHR (0.31) ALDH1A1TSHRTDP1
SCHEMBL107947 0.96 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL9293251 0.93
SCHEMBL3889962 0.92 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
Water SCHEMBL11536125 0.92 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL590 0.92 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL3898656 0.92 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
Lithium Ion SCHEMBL808460 0.88 TSHR (0.31) ALDH1A1TSHRTDP1
SCHEMBL3898653 0.88 TSHR (0.31) ALDH1A1TSHRTDP1
Potassium Ion SCHEMBL3889958 0.88 TSHR (0.31) 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 232 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113968892-B Reducing composition and preparation method and application of brassinolide homolog intermediate 湖南科瑞生物制药股份有限公司 2022-12-23 CN claimed
EP-2865666-B1 HEXAHYDROPENTALENO DERIVATIVES, PREPARATION METHOD AND USE IN MEDICINE THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2017-05-31 EP claimed
US-20150299118-A1 HEXAHYDROPENTALENO DERIVATIVES, PREPARATION METHOD AND USE IN MEDICINE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-22 US claimed
EP-2865666-A1 HEXAHYDROPENTALENO DERIVATIVES, PREPARATION METHOD AND USE IN MEDICINE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2015-04-29 EP claimed
US-6852350-B2 Flavor precursors FITZ WOLFGANG (NL) 2005-02-08 US claimed
US-6713642-B2 Method for producing alkali metal monohydridoborates and monohydridoaluminates CHEMETALL GMBH (DE) 2004-03-30 US claimed
EP-1272496-B1 METHOD FOR PRODUCING ALKALI METAL MONOHYDRIDOBORATES AND MONOHYDRIDOALUMINATES CHEMETALL GMBH (DE) 2004-01-28 EP claimed
US-20030166956-A1 Method for producing alkali metal monohydridoborates and monohydridoaluminates CHEMETALL GMBH (DE) 2003-09-04 US claimed
US-20020037349-A1 Flavour precursors FITZ WOLFGANG (NL) 2002-03-28 US claimed
US-4908439-A Synthesis of intermediate useful in the preparation of nojirimycin and related compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-13 US claimed
US-4868298-A Continuous process for the production of blocked isocyanate containing polyisocyanurates CARGILL, INCORPORATED (US) 1989-09-19 US claimed
US-4423209-A REACTING TO CONVERT 5-METHOXY GROUP TO HYDROXY MERCK & CO., INC. (US) 1983-12-27 US claimed
CN-118344420-A Preparation method of deoxycholic acid 北京诺博特生物科技有限公司 2024-07-16 CN disclosed
EP-3645548-B1 METHODS FOR PREPARING BILE ACIDS MEDYTOX INC (KR) 2023-11-29 EP disclosed
CN-111328332-B Process for the preparation of bile acids 玫帝托克斯股份有限公司 2023-01-24 CN disclosed
CN-113968892-B Reducing composition and preparation method and application of brassinolide homolog intermediate 湖南科瑞生物制药股份有限公司 2022-12-23 CN disclosed
US-3931284-A 11β-PGE2 compounds THE UPJOHN COMPANY (US) 1976-01-06 US disclosed
US-3931283-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-01-06 US disclosed
US-3931289-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-01-06 US disclosed
US-3931279-A 5-Oxa prostaglandin F2.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-06 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 (2 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-20030166956-A1 Method for producing alkali metal monohydridoborates and monohydridoaluminates ME1, CA7, ME3 ALDH1A1 679/4885TSHR 3324/4885TDP1 4754/4885
US-20150299118-A1 HEXAHYDROPENTALENO DERIVATIVES, PREPARATION METHOD AND USE IN MEDICINE THEREOF DPP4, DPP7, DPP3 ALDH1A1 188/4885TSHR 2088/4885TDP1 2808/4885

“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.