SCHEMBL1003381

SCHEMBL1003381

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL9293251 0.96
SCHEMBL1939142 0.96 ALDH1A1 (0.33) TSHRTDP1ALDH1A1
SCHEMBL590 0.96 ALDH1A1 (0.33) TSHRTDP1ALDH1A1
SCHEMBL9293250 0.92 TSHR (0.31) TSHRTDP1ALDH1A1
SCHEMBL107947 0.92 ALDH1A1 (0.36) TSHRTDP1ALDH1A1
Lithium Ion SCHEMBL14812375 0.89
SCHEMBL3898656 0.88 ALDH1A1 (0.33) TSHRTDP1ALDH1A1
Water SCHEMBL11536125 0.88 ALDH1A1 (0.33) TSHRTDP1ALDH1A1
Hydrochloric Acid SCHEMBL28815855 0.88 ALDH1A1 (0.33) TSHRTDP1ALDH1A1
Lithium SCHEMBL30686180 0.88 ALDH1A1 (0.33) TSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3167070-B1 PRODUCTION OF INSECT PHEROMONE PRECURSORS IN PLANTS HOFVANDER PER (SE) 2022-08-03 EP disclosed
US-20220017915-A1 Production of Insect Pheromone Precursors in Plants SEMIOPLANT AB (SE) 2022-01-20 US disclosed
US-11162111-B2 Production of insect pheromone precursors in plants SEMIOPLANT AB (SE) 2021-11-02 US disclosed
EP-3558986-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP disclosed
US-20180282755-A1 Production of Insect Pheromone Precursors in Plants SEMIOPLANT AB (SE) 2018-10-04 US disclosed
WO-2018114662-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
EP-2847191-B1 SUBSTITUTED 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2016-06-15 EP disclosed
US-9133181-B2 Substituted 6-(4-hydroxy-phenyl)-1H-pyrazolo[3,4-b]pyridine derivatives as kinase inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-20150133432-A1 SUBSTITUTED 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2015-05-14 US disclosed
EP-2847191-A1 SUBSTITUTED 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2015-03-18 EP disclosed
US-3944595-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1976-03-16 US disclosed
US-3936487-A RACEMIC MIXTURES, ANTIULCER, ANTICOAGULANT, LABOR INDUCING THE UPJOHN COMPANY (US) 1976-02-03 US disclosed
US-3933896-A ANTICOAGULANTS, ASTHMA, LABOR INDUCERS, CERVICAL DILATION THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933889-A 4,5-Cis-didehydro-PGF1.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933899-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933895-A PROSTAGLANDINS, ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933900-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933897-A ANTIULCER, ASTHMA, RENAL DYSFUNCTION THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933898-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3931268-A Methylhydrazinomethyl-substituted benzoic acid amides HOFFMANN-LA ROCHE INC. (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 (1 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-20150133432-A1 SUBSTITUTED 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AS KINASE INHIBITORS MAP3K1, MAP3K6, MAP3K19 TSHR 1883/4885TDP1 1783/4885ALDH1A1 1514/4885

“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.