SCHEMBL192333

SCHEMBL192333

[CH2]c1cccc(-c2ccccc2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 6/20 0.53
CD274 Q9NZQ7 6/20 0.53
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2A6 P11509 2/20 0.39
HPGD P15428 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2B6 P20813 1/20 0.39
ADRA2A P08913 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1A P35348 1/20 0.38
PTGS2 P35354 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
ESR2 Q92731 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
BACE1 P56817 1/20 0.36
DPP4 P27487 1/20 0.35

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
SCHEMBL25785668 0.83 PDCD1 (0.64) PDCD1CD274ALDH1A1HSD17B10CYP2A6
SCHEMBL4456694 0.81 SLC6A4 (0.42) PDCD1CD274HSD17B10HPGDHTR7
SCHEMBL27500515 0.78 ALDH1A1 (0.42) PDCD1CD274ALDH1A1HSD17B10CYP2A6
SCHEMBL95436 0.78 ALDH1A1 (0.48) PDCD1CD274ALDH1A1HSD17B10CYP2A6
Benzene SCHEMBL29008554 0.76 PDCD1 (0.57) PDCD1CD274ALDH1A1HSD17B10CYP2A6
SCHEMBL31065666 0.76 PDCD1 (0.57) PDCD1CD274ALDH1A1HSD17B10CYP2A6
SCHEMBL192334 0.76 PDCD1 (0.57) PDCD1CD274ALDH1A1HSD17B10CYP2A6
SCHEMBL27641143 0.75 ALDH1A1 (0.46) PDCD1CD274ALDH1A1HSD17B10CYP2A6
SCHEMBL9792869 0.75 PDCD1 (0.54) PDCD1CD274ALDH1A1HSD17B10CYP2A6
Ethane SCHEMBL7512730 0.74 PDCD1 (0.55) PDCD1CD274ALDH1A1HSD17B10CYP2A6

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 506 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
CN-113678697-A Method for relieving self-toxicity of cucumber cultivated in sunlight greenhouse matrix by using oil shale semicoke 甘肃农业大学 2021-11-23 CN claimed
US-20200305364-A1 PEST REPELLING DRIP IRRIGATION PIPE RIVULIS PLASTRO LTD. (IL) 2020-10-01 US claimed
CN-111212566-A Pest repelling drip irrigation pipe 瑞沃乐斯灌溉技术有限公司 2020-05-29 CN claimed
EP-2325385-B1 COMPOSITION FOR THE IMPREGNATION OF FIBERS, FABRICS AND NETTINGS IMPARTING A PROTECTIVE ACTIVITY AGAINST PESTS BASF SE (DE) 2017-10-04 EP claimed
WO-2015021991-A1 COMBINATION OF 2-METHYLBIPHENYL-3-YLMETHYL (Z)-(1R)-CIS-3-(2-CHLORO-3,3,3-TRIFLUOROPROP-1-ENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXYLATE WITH AT LEAST ONE INSECTICIDE, ACARICIDE, NEMATICIDE AND/OR FUNGICIDE. CHEMINOVA A/S (DK) 2015-02-19 WO claimed
EP-1697578-B1 COMPOSITION FOR THE IMPREGNATION OF FIBERS, FABRICS AND NETTINGS IMPARTING A PROTECTIVE ACTIVITY AGAINST PESTS BASF SE (DE) 2011-08-31 EP claimed
CN-101844985-B Acetyl-containing pyrethroid type compounds, synthesis method and application thereof BESTCHEM CO LTD 2011-08-31 CN claimed
CN-101880243-A Fluorocyanogen-containing pyrethroid compound and synthesis method and application thereof GUIYANG BEST CHEMICAL CO LTD 2010-11-10 CN claimed
CN-101844985-A Acetyl-containing pyrethroid type compounds, synthesis method and application thereof BESTCHEM CO LTD 2010-09-29 CN claimed
WO-1988000183-A1 S-TRIFLUOROBUTENYL DERIVATIVES AND PESTICIDAL USES FMC CORPORATION (US) 1988-01-14 WO claimed
US-4689342-A MITICIDES, NEMATOCIDES ROUSSEL UCLAF (FR) 1987-08-25 US claimed
CN-86108825-A PYRIMIDINE DERIVATIVES 1987-07-22 CN claimed
EP-0227415-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-01 EP claimed
US-4661488-A Pyrimidine substituted-2,2-dimethylcyclopropane carboxylates useful for combating insect and acarine pests at a locus IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-28 US claimed
EP-0217342-A1 2,2-Dimethylcyclopropanecarboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-04-08 EP claimed
US-H49-H Process for producing 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylates FMC CORPORATION (US) 1986-04-01 US claimed
EP-0171249-A2 Improvements relating to pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-02-12 EP claimed
EP-0162538-A2 Cyclopropane derivates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-27 EP claimed
EP-0063374-B1 SUBSTITUTED BIPHENYL COMPOUNDS FMC Corporation (US) 1984-02-22 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 (1 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-20200305364-A1 PEST REPELLING DRIP IRRIGATION PIPE AQP3, AQP4, CDIPT PDCD1 3890/4885CD274 4143/4885ALDH1A1 4732/4885

“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.