SCHEMBL3424037

SCHEMBL3424037

CC(C)[C@H](C(=O)O)c1ccc(OC(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
ALOX15 P16050 1/20 0.45
GFER P55789 1/20 0.45
ADAM17 P78536 1/20 0.45
ATM Q13315 1/20 0.43
DRD1 P21728 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE2A O00408 3/20 0.41
LDHA P00338 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8455312 1.00 AKR1C3 (0.55) AKR1C3AKR1C2ALOX15GFERADAM17
SCHEMBL3681215 1.00 AKR1C3 (0.55) AKR1C3AKR1C2ALOX15GFERADAM17
Hydrochloric Acid SCHEMBL11153465 0.98 AKR1C3 (0.54) AKR1C3AKR1C2ALOX15GFERADAM17
SCHEMBL27344690 0.94 AKR1C3 (0.50) AKR1C3AKR1C2ALOX15GFERADAM17
SCHEMBL11309843 0.85 L3MBTL1 (0.46) AKR1C3AKR1C2ALOX15GFERADAM17
SCHEMBL8457607 0.85 ALOX15 (0.44) AKR1C3AKR1C2ALOX15GFERADAM17
SCHEMBL8457604 0.85 ALOX15 (0.44) AKR1C3AKR1C2ALOX15GFERADAM17
SCHEMBL11155861 0.83 PTGS1 (0.50) AKR1C3AKR1C2DRD1DAGLAKMT2A
SCHEMBL10707144 0.83 KMT2A (0.47) AKR1C3AKR1C2ALOX15GFERADAM17
SCHEMBL10881708 0.82 PTGS2 (0.52) AKR1C3AKR1C2ALOX15GFERADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889029-A1 METHOD FOR DETERMINING RESIDUES IN PLASTICS BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP claimed
EP-1889028-A1 METHOD FOR DETERMINING PESTICIDE RESIDUES IN SOIL OR PLANT MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP claimed
EP-1261255-B1 METHOD FOR FIGHTING AGAINST ARTHROPODS DESTRUCTIVE OF CROPS AND COMPOSITION THEREFOR BASF AGRO B V ARNHEM NL WAEDEN (CH) 2007-06-06 EP claimed
WO-2006125647-A1 METHOD FOR DETERMINING RESIDUES IN PLASTICS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO claimed
WO-2006125644-A1 METHOD FOR DETERMINING PESTICIDE RESIDUES IN SOIL OR PLANT MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO claimed
US-20030187029-A1 Method for fighting against arthropods destructive of crops and compositions therefor BASF AGRO B.V., ARNHEM (NL), WADENSWIL-BRANCH (CH) 2003-10-02 US claimed
JP-2003525885-A 2003-09-02 JP claimed
EP-1261255-A1 METHOD FOR FIGHTING AGAINST ARTHROPODS DESTRUCTIVE OF CROPS AND COMPOSITION THEREFOR AVENTIS CROPSCIENCE S.A. (FR) 2002-12-04 EP claimed
WO-2001065941-A1 METHOD FOR FIGHTING AGAINST ARTHROPODS DESTRUCTIVE OF CROPS AND COMPOSITION THEREFOR AVENTIS CROPSCIENCE S.A. (FR) 2001-09-13 WO claimed
US-5886207-A INSECTICIDES, MITICIDES SHANGHAI ZHONGXI PHARMACEUTICAL CO. LTD. (CN) 1999-03-23 US claimed
EP-0687670-A1 AN OPTICALLY ACTIVE COMPOUND OF FLUBROCYTHRINATE, A PROCESS FOR PREPARING THE SAME AND ITS USE Shanghai Zhongxi Pharmaceutical Co. Ltd. (CN) 1995-12-20 EP claimed
EP-0189377-A2 An agricultural composition with reduced toxicity to fishes and shellfishes Takeda Chemical Industries, Ltd. (JP) 1986-07-30 EP claimed
US-20210321608-A1 PYRETHROID FORMULATIONS SILICON VALLEY BANK (CA) 2021-10-21 US disclosed
EP-2747556-B1 PYRETHROID FORMULATIONS VIVE CROP PROT INC (CA) 2021-08-11 EP disclosed
US-10966422-B2 Pyrethroid formulations VIVE CROP PROTECTION INC. (CA) 2021-04-06 US disclosed
EP-2048953-B1 INSECTICIDAL COMPOSITION MCLAUGHLIN GORMLEY KING CO (US) 2020-11-18 EP disclosed
US-4725589-A SYNERGISTIC BLEND OF NITROMETHYLENE AND ORGANOPHOSPHATE ESTER NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-02-16 US disclosed
EP-0189377-A2 An agricultural composition with reduced toxicity to fishes and shellfishes Takeda Chemical Industries, Ltd. (JP) 1986-07-30 EP disclosed
US-4463014-A PESTICIDE, INSECTICIDE, NEMATOCIDE, MITICIDES, AND FUNGICIDES Uclaf, Roussel (FR) 1984-07-31 US disclosed
US-4239777-A INSECTICIDE, MITICIDES AMERICAN CYANAMID COMPANY (US) 1980-12-16 US 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-20030187029-A1 Method for fighting against arthropods destructive of crops and compositions therefor WAPL, AGL, OSGEP AKR1C3 3193/4885AKR1C2 3006/4885ALOX15 722/4885
US-20210321608-A1 PYRETHROID FORMULATIONS DDT, PCNP, MGST3 AKR1C3 1557/4885AKR1C2 2315/4885ALOX15 3628/4885
US-10966422-B2 Pyrethroid formulations DDT, PCNP, MGST3 AKR1C3 1557/4885AKR1C2 2315/4885ALOX15 3628/4885

“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.