SCHEMBL6133091

SCHEMBL6133091

CC[CH]C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.61
ALDH1A1 P00352 7/20 0.58
LMNA P02545 2/20 0.57
AKR1B10 O60218 2/20 0.53
AKR1B1 P15121 2/20 0.53
CA12 O43570 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
TDP1 Q9NUW8 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
TTR P02766 1/20 0.48

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
SCHEMBL6708209 0.86 HCAR2 (0.57) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL8551054 0.85 SMN1; SMN2 (0.52) HCAR2ALDH1A1LMNACA12CA9
SCHEMBL8894753 0.84 MMP2 (0.44) HCAR2ALDH1A1LMNACA9KMT2A
SCHEMBL4065633 0.83 HCAR2 (0.62) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL6966475 0.83 HCAR2 (0.54) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL7187261 0.82 HCAR2 (0.67) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL1879191 0.82 HCAR2 (0.67) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL6971651 0.82 HCAR2 (0.53) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL9001891 0.81 HCAR2 (0.61) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL9650418 0.81 HCAR2 (0.61) HCAR2ALDH1A1LMNAAKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents SYNGENTA CROP PROTECTION AG (CH) 2022-03-15 US claimed
EP-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP claimed
US-20210087151-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2021-03-25 US claimed
CN-112218860-A Substituted phenylthiouracils, their salts and their use as herbicides 先正达农作物保护股份公司 2021-01-12 CN claimed
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
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
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-25 US claimed
EP-3256448-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2017-12-20 EP claimed
WO-2016128365-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 WO claimed
US-5278187-A Cardioprotection drugs BRITISH TECHNOLOGY GROUP LTD. (GB) 1994-01-11 US claimed
US-5162372-A Diester-diamide-diamine NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-11-10 US claimed
US-5149710-A Pharmaceutical compositions for treating psoriasis NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-09-22 US claimed
WO-1992000951-A1 PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-01-23 WO claimed
WO-1991000854-A1 N,N'-DICARBOXYMETHYL, N,N'-DIAMINOCARBONYLMETHYL-DIAMINOALKANE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-01-24 WO claimed
EP-0408384-A1 N,N'-dicarboxymethyl, N,N'-dicarbamoylmethyl diaminoalkane derivatives and their use in pharmaceutical compositions. BTG INTERNATIONAL LIMITED (GB) 1991-01-16 EP claimed
EP-0197752-B1 PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-09-12 EP claimed
US-4902714-A N,N'-DIPROPARGYLOXYCARBONYLMETHYL-N,N'-DIAMINOCARBONYLMETHYL -1,2-DIAMINOPROPANE NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-02-20 US claimed
US-4755619-A Pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-07-05 US claimed
EP-0197752-A2 Pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-10-15 EP claimed

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-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents UNG, TYMP, TYMS HCAR2 2986/4885ALDH1A1 133/4885LMNA 4853/4885
US-20210087151-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS HCAR2 2986/4885ALDH1A1 133/4885LMNA 4853/4885
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants CBR3, CBR1, CBS HCAR2 3762/4885ALDH1A1 4235/4885LMNA 4019/4885
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD HCAR2 719/4885ALDH1A1 215/4885LMNA 4727/4885

“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.