SCHEMBL402114

SCHEMBL402114

B.CC(C)(O)C(C)(C)O.CC(C)(O)C(C)(C)O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.36
LMNA P02545 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
SCHEMBL28434631 1.00 THRB (0.50) THRBALDH1A1TSHRLMNA
SCHEMBL21494164 1.00 THRB (0.50) THRBALDH1A1TSHRLMNA
SCHEMBL129302 1.00
SCHEMBL21494162 0.94 THRB (0.46) THRBALDH1A1TSHR
SCHEMBL8968 0.94
SCHEMBL504018 0.94 THRB (0.55) THRBALDH1A1TSHRLMNA
SCHEMBL27028519 0.94 THRB (0.55) THRBALDH1A1TSHRLMNA
Ethyne SCHEMBL28470577 0.89 THRB (0.43) THRBALDH1A1TSHR
Water SCHEMBL3827178 0.88 THRB (0.50) THRBALDH1A1TSHRLMNA
Hydrochloric Acid SCHEMBL7537660 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109575910-B High-sensitivity force-induced color-changing composite material and preparation method thereof 南京工程学院 2022-02-11 CN disclosed
CN-107428744-B Novel heterocyclic compounds and their use in medicine and cosmetics 盖尔德马研究及发展公司 2021-09-24 CN disclosed
CN-113039182-A Inhibitors of YAP/TAZ-TEAD interaction and their use in cancer treatment 伊文蒂瓦公司 2021-06-25 CN disclosed
CN-107074820-B GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-05-18 CN disclosed
CN-112457301-A Novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-03-09 CN disclosed
CN-108603045-B Hydrophilic semiconductive single-walled carbon nanotube ink 加拿大国家研究委员会 2021-02-02 CN disclosed
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 EP disclosed
CN-106977495-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-08-04 CN disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 EP disclosed
CN-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 CN disclosed
WO-2007061737-A2 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 US disclosed
EP-1706395-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 WO 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 (4 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-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 THRB 3419/4885ALDH1A1 4496/4885TSHR 3980/4885
US-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT THRB 2525/4885ALDH1A1 1344/4885TSHR 980/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 THRB 1761/4885ALDH1A1 1563/4885TSHR 2958/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 THRB 1732/4885ALDH1A1 3941/4885TSHR 734/4885

“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.