SCHEMBL3846207

SCHEMBL3846207

C[C](C)C(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
TDP1 Q9NUW8 3/20 0.57
MAPK1 P28482 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 2/20 0.52
HCAR2 Q8TDS4 1/20 0.52
HTR2C P28335 1/20 0.49
P2RX4 Q99571 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
FABP7 O15540 1/20 0.49
FABP5 Q01469 1/20 0.49
HTT P42858 1/20 0.49
MAOB P27338 1/20 0.49
P2RX1 P51575 1/20 0.47

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
SCHEMBL647916 0.88 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13234397 0.88 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL9397986 0.88 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13234406 0.88 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13234401 0.88 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13234427 0.88 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13234395 0.88 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13234399 0.88 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27144 0.87 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL23542519 0.84 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0973768-B1 AZOLE COMPOUNDS, THEIR PRODUCTION AND THEIR USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-09 EP claimed
EP-0973768-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP claimed
WO-1998043970-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-08 WO claimed
WO-2023176458-A1 DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND 石原産業株式会社 2023-09-21 WO disclosed
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
EP-3322296-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-23 EP disclosed
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 disclosed
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 disclosed
EP-3128841-A1 USE OF SUBSTITUTED OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2017-02-15 EP disclosed
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-02 US disclosed
WO-2017009321-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-19 WO disclosed
CN-85105977-A The preparation method of antimicrobial compounds 1987-02-25 CN disclosed
EP-0203271-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-12-03 EP disclosed
CN-85105988-A The preparation method of cephem compounds 1986-10-29 CN disclosed
WO-1986005183-A1 ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-09-12 WO disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0160969-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-13 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 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-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants CBR3, CBR1, CBS ALDH1A1 4235/4885TDP1 3492/4885MAPK1 2620/4885
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS PPA1, PHOSPHO1, PIP4K2C ALDH1A1 3502/4885TDP1 2789/4885MAPK1 409/4885
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS TST, GSS, SQOR ALDH1A1 2146/4885TDP1 2801/4885MAPK1 2112/4885

“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.