SCHEMBL343823

SCHEMBL343823

C=CC(=O)OCCCCOC(=O)Cl

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.75
ALDH1A1 P00352 4/20 0.75
CYP3A4 P08684 2/20 0.75
HPGD P15428 1/20 0.61
TP53 P04637 3/20 0.56
HIF1A Q16665 3/20 0.56
HSD17B10 Q99714 1/20 0.56
THRB P10828 2/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 3/20 0.37
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4343485 0.91 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL244114 0.89 TSHR (0.95) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13945622 0.86 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL33725 0.86 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL322713 0.86 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9101988 0.86 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20873747 0.86 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8493780 0.86 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
Ethylene SCHEMBL977945 0.86 TSHR (0.90) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL482460 0.86 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118633098-A Environmental attributes of carbonyl-containing chemical compounds 巴斯夫欧洲公司 2024-09-10 CN claimed
WO-2023117936-A1 ENVIRONMENTAL ATTRIBUTES FOR CHEMICAL COMPOUNDS COMPRISING A CARBONYL GROUP BASF SE (DE) 2023-06-29 WO claimed
CN-112079862-A Carbonic acid ester liquid crystal intermediate and preparation method and application thereof 江苏创拓新材料有限公司 2020-12-15 CN claimed
CN-113710654-B Polymerizable liquid crystal having carbazole nucleus 罗利克技术有限公司 2024-08-30 CN disclosed
US-12012382-B2 Polymerizable liquid crystal having a carbazole core Rolic Technologies AG (CH) 2024-06-18 US disclosed
CN-113620805-B Polymerizable compound, composition, and optically anisotropic body 江苏创拓新材料有限公司 2024-05-24 CN disclosed
WO-2023117936-A1 ENVIRONMENTAL ATTRIBUTES FOR CHEMICAL COMPOUNDS COMPRISING A CARBONYL GROUP BASF SE (DE) 2023-06-29 WO disclosed
US-20220259148-A1 NEW POLYMERIZABLE LIQUID CRYSTAL HAVING A CARBAZOLE CORE Rolic Technologies AG (CH) 2022-08-18 US disclosed
EP-3990430-A1 NEW POLYMERIZABLE LIQUID CRYSTAL HAVING A CARBAZOLE CORE Rolic Technologies AG (CH) 2022-05-04 EP disclosed
CN-113710654-A Novel polymerizable liquid crystals with carbazole core 罗利克技术有限公司 2021-11-26 CN disclosed
CN-113620805-A Polymerizable compound, composition, and optically anisotropic body 江苏创拓新材料有限公司 2021-11-09 CN disclosed
WO-2007011003-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, THIN FILM AND LIQUID CRYSTAL DISPLAY FUJIFILM CORPORATION (JP) 2007-01-25 WO disclosed
US-20050151118-A1 Polymerizable liquid-crystalline compositions for producing films or pigments, optical components, printed or coated substrates, broadband reflective elements in electrooptical applications BASF AKTIENGESELLSCHAFT (DE) 2005-07-14 US disclosed
US-6899824-B2 Applying liquid crystalline polymer to substrates; photopolymerization; curing BASF AKTIENGESELLSCHAFT (DE) 2005-05-31 US disclosed
US-20040140451-A1 For the production of films or coatings which selectively reflect light in the wavelength range from 250 to 1300 nm BASF DRUCKSYSTEME GMBH (DE) 2004-07-22 US disclosed
US-6733689-B1 ACRYLIC ESTER AND VINYL ETHER LIQUID CRYSTAL POLYMERS BASF DRUCKSYSTEME GMBH (DE) 2004-05-11 US disclosed
US-6136225-A USED IN OPTICAL DISPLAY DEVICES AND IN CHOLESTERIC LIQUID-CRYSTALLINE COLORANTS, PIGMENTS BASF AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed
US-6099751-A Chiral compounds BASF AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed
US-5744057-A Polymerizable, chiral compounds, and use thereof BASF AKTIENGESELLSHAFT (DE) 1998-04-28 US disclosed
EP-0750029-A2 Polymerisable chiral compounds and their use BASF Aktiengesellschaft (DE) 1996-12-27 EP 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-12012382-B2 Polymerizable liquid crystal having a carbazole core FZD7, CCL11, SGK2 TSHR 4670/4885ALDH1A1 2627/4885CYP3A4 75/4885
US-20220259148-A1 NEW POLYMERIZABLE LIQUID CRYSTAL HAVING A CARBAZOLE CORE FZD7, CXXC5, SGK2 TSHR 4686/4885ALDH1A1 3164/4885CYP3A4 333/4885

“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.