SCHEMBL3920009

SCHEMBL3920009

[CH2]COc1cccc(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
GRM2 Q14416 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
FFAR1 O14842 3/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ACHE P22303 1/20 0.39
HTR1A P08908 1/20 0.38

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
SCHEMBL6474696 0.85 L3MBTL1 (0.56) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL29979999 0.82 CYP3A4 (0.55) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL5619009 0.82 CYP3A4 (0.55) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL535459 0.81 L3MBTL1 (0.54) L3MBTL1LMNAPOLBGRM2NR4A2
SCHEMBL25005890 0.81 SOD1 (0.53) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL485746 0.81 SOD1 (0.53) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL5026087 0.81 SOD1 (0.53) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL19321808 0.81 SOD1 (0.53) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL12250996 0.81 SOD1 (0.53) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL3197958 0.79 SOD1 (0.51) SOD1L3MBTL1LMNAPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501530-B2 Trifluoromethyl-thiophene carboxylic acid aniledes and use thereof as fungicides BASF AKTIENGESELLSCHAFT (DE) 2009-03-10 US disclosed
US-20060172891-A1 Trifluoromethyl-thiophene carboxylic acid aniledes and use thereof as fungicides BASF AKTIENGESELLSCHAFT (DE) 2006-08-03 US disclosed
CN-1764657-A Trifluoromethyl-thiophene carboxylic acid anilides and use thereof as fungicides. BASF AG (DE) 2006-04-26 CN disclosed
EP-0741694-B1 PHENYL ACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND AGENTS CONTAINING THEM BASF AG (DE) 2003-04-02 EP disclosed
EP-0873305-B1 AZINOOXIMETHERS, PROCESSES AND INTERMEDIATE PRODUCTS FOR MANUFACTURING SAME, AND THE USES THEREOF IN COMBATING HARMFUL FUNGI AND PESTS BASF AG (DE) 2001-03-28 EP disclosed
US-6187812-B1 FOR CONTROLLING ANIMAL PESTS OR HARMFUL FUNGI; (E,E,E)-2-METHOXYIMINO-2-(2'-(1?-METHYL, 1?-(1?'-ETHOXYIMINOETHYL))IMINOOXYMETHYL)PHENYLACETIC ACID MONOMETHYLAMIDE, FOR EXAMPLE BASF AKTIENGESELLSCHAFT (DE) 2001-02-13 US disclosed
US-6127568-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-10-03 US disclosed
EP-0873307-B1 CYANIMINO OXIME ETHERS, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF FOR THE CONTROL OF NOXIOUS FUNGI AND ANIMAL PESTS BASF AG (DE) 2000-05-31 EP disclosed
US-6066756-A FUNGICIDES, PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-23 US disclosed
US-6063813-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
US-5977399-A Iminooxymethyleneanilides, preparation thereof and intermediates therefor, and compositions containing them BASF AKTIENGESELLSCHAFT (DE) 1999-11-02 US disclosed
US-5965587-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-10-12 US disclosed
EP-0888311-A1 PYRIMIDYL PHENYL AND BENZYL ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
EP-0885194-A1 PYRIDYL-PHENYL- AND BENZYLETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES AND FOR CONTROLLING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
CN-1192200-A Phenylacetic acid derivatives, process and intermediates for their preparation, and their use as pest-killing compositions and fungicides BASF AG (DE) 1998-09-02 CN disclosed
CN-1166829-A Iminooxymethylene anilides, process and intermediate products for preparing the same and pesticides containing the same BASF AG (DE) 1997-12-03 CN disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed
WO-1997033874-A1 PYRIMIDYL PHENYL AND BENZYL ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 WO disclosed
WO-1997030032-A1 PYRIDYL-PHENYL- AND BENZYLETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES AND FOR CONTROLLING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1997-08-21 WO disclosed
CN-1152908-A Phenyl acetic acid derivatives, process and intermediate products for their production and agents containing them BASF AG (DE) 1997-06-25 CN 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 (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-20060172891-A1 Trifluoromethyl-thiophene carboxylic acid aniledes and use thereof as fungicides AS3MT, GABBR1, TH SOD1 3095/4885L3MBTL1 2312/4885LMNA 3934/4885

“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.