SCHEMBL2966035

SCHEMBL2966035

CC(=O)OCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
MMP1 P03956 2/20 0.59
TDP1 Q9NUW8 2/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP12 P39900 1/20 0.58
LMNA P02545 1/20 0.55
ADRA2A P08913 1/20 0.55
CNR1 P21554 1/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
FFAR1 O14842 7/20 0.55
FFAR4 Q5NUL3 2/20 0.55
CETP P11597 1/20 0.54
PTGES O14684 1/20 0.50
AKR1C3 P42330 1/20 0.49
IDH1 O75874 1/20 0.48

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
Butane SCHEMBL10795609 0.95 ALDH1A1 (0.60) ALDH1A1MMP1TDP1MMP2MMP9
SCHEMBL28794034 0.86 ALDH1A1 (0.69) ALDH1A1FFAR1
SCHEMBL10887508 0.85 MMP1 (0.54) ALDH1A1MMP1TDP1MMP2MMP9
SCHEMBL8024062 0.85 ALDH1A1 (0.72) ALDH1A1MMP2FFAR1FFAR4
SCHEMBL29729966 0.84 MMP1 (0.56) ALDH1A1MMP1TDP1MMP2MMP9
SCHEMBL22066497 0.84 MMP1 (0.56) MMP1TDP1MMP2MMP9MMP12
SCHEMBL28827952 0.84 MMP1 (0.59) ALDH1A1MMP1TDP1MMP2MMP9
SCHEMBL6667358 0.84 MMP1 (0.59) ALDH1A1MMP1TDP1MMP2MMP9
SCHEMBL11204265 0.84 TDP1 (0.59) ALDH1A1MMP1TDP1MMP2MMP9
SCHEMBL10351327 0.83 CYP3A4 (0.61) ALDH1A1MMP1MMP2MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4152230-A PHOTOOXIDATION PROCESS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-05-01 US claimed
JP-61017524-A None JP disclosed
US-11872208-B2 Composition for treating parasites infestations CEVA SANTE ANIMALE (FR) 2024-01-16 US disclosed
US-20230381129-A1 PERMETRIN FOR USE IN THE TREATMENT OF DEMODEX SPP INFESTATION TG PHARMA SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (PL) 2023-11-30 US disclosed
US-20230120480-A1 METHODS FOR REMOVING CONTAMINANTS FROM PLANT-DERIVED PHARMACEUTICALS SORBENT TECHNOLOGIES, INC. 2023-04-20 US disclosed
US-20220386616-A1 Combination of Encapsulated Phenothrin and Emulsified Prallethrin JESMOND HOLDING AG (CH) 2022-12-08 US disclosed
US-11026985-B2 Methods for removing contaminants from plant-derived pharmaceuticals SORBENT TECHNOLOGIES, INC. (US) 2021-06-08 US disclosed
WO-2021094598-A1 COMBINATION OF ENCAPSULATED PHENOTHRIN AND EMULSIFIED PRALLETHRIN JESMOND HOLDING AG (CH) 2021-05-20 WO disclosed
US-20200306220-A1 COMPOSITION FOR TREATING PARASITES INFESTATIONS CEVA SANTE ANIMALE (FR) 2020-10-01 US disclosed
US-10646473-B2 Topical compositions comprising fipronil and permethrin and methods of use Boehringer Ingelheim Animal Health USA Inc. (US) 2020-05-12 US disclosed
EP-0052727-A1 Process for brominating side chain of m-phenoxytoluene TOYO SODA MANUFACTURING CO., LTD. (JP) 1982-06-02 EP disclosed
US-4302306-A Bromination of side chain of m-phenoxytoluene TOYO SODA MANUFACTURING CO., LTD. (JP) 1981-11-24 US disclosed
US-4272634-A Process for the production of intermediate oxidation products of toluenes having ether linkages DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1981-06-09 US disclosed
US-4250340-A CHLORINATING M-PHENOXYTOLUENE WITH SULFURYL CHLORIDE USING ALKYL PERALKANOATE INITIATOR CRODA SYNTHETIC CHEMICALS LIMITED (GB) 1981-02-10 US disclosed
EP-0019804-A1 Bromination of side chain of m-phenoxytoluene TOYO SODA MANUFACTURING CO., LTD. (JP) 1980-12-10 EP disclosed
US-4220605-A LIQUID PHASE USING A SOLVENT OF LOW LOWER CARBOXYLIC ACID OR ANHYDRIDE, A SOLUBLE COBALT SALT AND BROMINE OR A BROMINE COMPOUND DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1980-09-02 US disclosed
US-4152230-A PHOTOOXIDATION PROCESS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-05-01 US disclosed
US-4116998-A Preparation of esters of m-phenoxybenzyl alcohol and its α-cyano and α-ethinyl derivatives with 2,2-dimethylcyclopropanecarboxylic acids IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-26 US disclosed
US-3969393-A Process for preparing cyclopropane-carboxylic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-07-13 US disclosed
US-3968124-A Process for preparing phenyl-acetic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-07-06 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 (7 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-10646473-B2 Topical compositions comprising fipronil and permethrin and methods of use FASN, MTPN, FAAH ALDH1A1 4724/4885MMP1 335/4885TDP1 1664/4885
US-20230381129-A1 PERMETRIN FOR USE IN THE TREATMENT OF DEMODEX SPP INFESTATION DSTN, DERL1, DPM1 ALDH1A1 3333/4885MMP1 934/4885TDP1 3422/4885
US-11026985-B2 Methods for removing contaminants from plant-derived pharmaceuticals CES2, CNR2, GUSB ALDH1A1 1215/4885MMP1 2472/4885TDP1 1099/4885
US-20230120480-A1 METHODS FOR REMOVING CONTAMINANTS FROM PLANT-DERIVED PHARMACEUTICALS CES2, CNR2, GUSB ALDH1A1 1215/4885MMP1 2472/4885TDP1 1099/4885
US-20200306220-A1 COMPOSITION FOR TREATING PARASITES INFESTATIONS IL5, CTRL, IL4 ALDH1A1 3884/4885MMP1 318/4885TDP1 4522/4885
US-11872208-B2 Composition for treating parasites infestations IL5, CTRL, IL4 ALDH1A1 3884/4885MMP1 318/4885TDP1 4522/4885
US-20220386616-A1 Combination of Encapsulated Phenothrin and Emulsified Prallethrin CYP46A1, LIPA, DDT ALDH1A1 4260/4885MMP1 2666/4885TDP1 4056/4885

“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.