SCHEMBL798003

SCHEMBL798003

C[CH]COCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
ALOX5 P09917 1/20 0.45
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TK1 P04183 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TACR1 P25103 2/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL18789226 0.83 TSHR (0.56) TSHRALOX5IDO1AGXTALDH1A1
SCHEMBL9084784 0.83 TSHR (0.56) TSHRALOX5IDO1AGXTALDH1A1
SCHEMBL10515956 0.83 TSHR (0.56) TSHRALOX5IDO1AGXTALDH1A1
SCHEMBL4574153 0.81 TSHR (0.67) TSHRALOX5IDO1AGXTALDH1A1
SCHEMBL6941005 0.81 TSHR (0.67) TSHRALOX5IDO1AGXTALDH1A1
SCHEMBL1524411 0.81 TSHR (0.67) TSHRALOX5IDO1AGXTCA1
SCHEMBL1524101 0.81 TSHR (0.67) TSHRALOX5IDO1AGXTCA1
SCHEMBL1524098 0.81 TSHR (0.67) TSHRALOX5IDO1AGXTCA1
SCHEMBL17688804 0.79 TSHR (0.52) TSHRALOX5IDO1AGXTALDH1A1
Propene SCHEMBL27428554 0.79 TSHR (0.71) TSHRIDO1AGXTALDH1A1CA1

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
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
CN-110183603-A Phosphorous release agent, including its optics polymerizable composition, polymerizable composition and preparation method thereof SKC株式会社 2019-08-30 CN claimed
WO-2018114663-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
EP-2556056-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2013-02-13 EP claimed
US-20130023494-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-01-24 US claimed
WO-2011127051-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-13 WO claimed
EP-0093620-B1 FUNGICIDAL N-PHENYLCARBAMATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-01-07 EP claimed
EP-0093620-A1 Fungicidal N-phenylcarbamates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-09 EP claimed
US-20240115626-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES CHURCH & DWIGHT CO., INC. (US) 2024-04-11 US disclosed
CN-117098760-A Compositions and methods for treating KIT and PDGFRA mediated diseases 缆图药品公司 2023-11-21 CN disclosed
US-11801273-B2 Compositions and methods to increase production of isothiocyanates CHURCH & DWIGHT CO., INC. (US) 2023-10-31 US disclosed
CN-113912597-B ROR gamma inhibitor, preparation method and medical application thereof 赛诺哈勃药业(成都)有限公司 2023-06-13 CN disclosed
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof GENENTECH, INC. (US) 2023-03-28 US disclosed
EP-0318032-A2 Thermal dye transfer sheet MITSUBISHI KASEI CORPORATION (JP) 1989-05-31 EP disclosed
EP-0318034-A1 Thermal dye transfer sheet MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1989-05-31 EP disclosed
US-4820685-A COLOR LAYER OF QUINOLINE DYES AND BINDERS, ON FILM BASE MITSUBISHI KASEI CORPORATION (JP) 1989-04-11 US disclosed
CN-86105901-A Agricultural chemical compound 1987-03-11 CN disclosed
EP-0093620-B1 FUNGICIDAL N-PHENYLCARBAMATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-01-07 EP disclosed
EP-0093620-A1 Fungicidal N-phenylcarbamates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-09 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 (3 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-20130023494-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO GPR119, SLC5A2, SLC5A1 TSHR 1346/4885ALOX5 3768/4885IDO1 2360/4885
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD TSHR 2484/4885ALOX5 1911/4885IDO1 229/4885
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof PHKG1, MAP4K5, HIPK1 TSHR 4838/4885ALOX5 2485/4885IDO1 1237/4885

“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.