SCHEMBL219575

SCHEMBL219575

C[CH]C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.65
ALDH1A1 P00352 7/20 0.62
LMNA P02545 3/20 0.61
AKR1B10 O60218 2/20 0.56
AKR1B1 P15121 2/20 0.56
CA12 O43570 2/20 0.56
CA4 P22748 2/20 0.56
CA6 P23280 2/20 0.56
CA5A P35218 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
TDP1 Q9NUW8 3/20 0.55
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
TTR P02766 1/20 0.50

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
SCHEMBL1070423 0.85 HCAR2 (0.71) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL1070426 0.85 HCAR2 (0.71) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL337504 0.83 HCAR2 (0.89) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL9395526 0.83 HCAR2 (0.69) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL357565 0.83 HCAR2 (0.89) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL337503 0.83 HCAR2 (0.89) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
Propene SCHEMBL28200015 0.83 HCAR2 (0.59) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL10920042 0.82 HCAR2 (0.57) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL26288 0.82 HCAR2 (0.67) HCAR2ALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL27659194 0.82 HCAR2 (0.85) 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 295 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
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
CN-114106041-A Process for synthesizing triphenylphosphine halogenated salt by solvent-free reaction method 江苏宝众宝达药业股份有限公司 2022-03-01 CN 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
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728235-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS Syngenta Crop Protection AG (CH) 2020-10-28 EP claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US 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
EP-0027599-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-03 EP claimed
US-4413000-A BACTERICIDES BEECHAM GROUP LIMITED (GB) 1983-11-01 US claimed
US-4381299-A 7-Amino-thiadiazole oxyimino derivatives of cephem and cepham compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-26 US claimed
US-4331665-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-25 US claimed
EP-0027599-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-29 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS HCAR2 675/4885ALDH1A1 201/4885LMNA 3862/4885
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-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES DDT, HPD, PAH HCAR2 1254/4885ALDH1A1 401/4885LMNA 4592/4885

“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.