SCHEMBL732547

SCHEMBL732547

CCOC(=O)C=CC(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
MAOB P27338 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN1 P18031 1/20 0.39
IDH1 O75874 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MMP14 P50281 1/20 0.38
POLB P06746 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL732546 1.00 ALDH1A1 (0.42) ALDH1A1LMNAMAPTTHRBCYP1A1
SCHEMBL11361099 0.90 MAPT (0.43) ALDH1A1LMNAMAPTTHRBNPSR1
SCHEMBL11361094 0.90 MAPT (0.43) ALDH1A1LMNAMAPTTHRBNPSR1
SCHEMBL11283883 0.90 MMP14 (0.44) CYP1A1CYP1B1MAOBNPSR1PTPN1
SCHEMBL11547770 0.90 ATM (0.42) CYP1A1CYP1B1MAOBPPARGPPARA
SCHEMBL11556763 0.89 PPARG (0.38) CYP1A1CYP1B1MAOBPPARGPPARA
SCHEMBL11338624 0.88 PPARG (0.38) CYP1A1CYP1B1MAOBPPARGPPARA
SCHEMBL11554936 0.87 PPARG (0.37) CYP1A1CYP1B1MAOBPPARGPPARA
SCHEMBL11281044 0.87 ALOX5 (0.37) LMNACYP1A1CYP1B1MAOBPPARG
SCHEMBL11547195 0.87 SCN9A (0.37) CYP1A1CYP1B1MAOBPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330904-B1 Herbicidal agent in the form of aqueous microemulsions HOECHST AG (DE) 1994-04-20 EP claimed
US-4973352-A Herbicidal agents in the form of aqueous transparent microemulsions HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-27 US claimed
EP-0330904-A1 Herbicidal agent in the form of aqueous microemulsions HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-06 EP claimed
JP-55079344-A None JP disclosed
US-9801374-B2 Active compound combinations comprising carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2017-10-31 US disclosed
EP-1893016-B1 WATER-IN-OIL SUSPOEMULSIONS BAYER IP GMBH (DE) 2017-09-13 EP disclosed
EP-1651039-B1 OIL SUSPENSION CONCENTRATE CONTAINING DIFLUFENICAN BAYER IP GMBH (DE) 2017-01-04 EP disclosed
US-20160349088-A1 MONITORING DEVICES AND PROCESSES BASED ON TRANSFORMATION, DESTRUCTION AND CONVERSION OF NANOSTRUCTURES PATEL GORDHANBHAI (US) 2016-12-01 US disclosed
EP-1928232-B1 SOLID FORMULATION BAYER IP GMBH (DE) 2016-07-13 EP disclosed
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2908639-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES Bayer Cropscience AG (DE) 2015-08-26 EP disclosed
EP-0254222-A2 Quinolinoxy compounds, procedure for their synthesis and their application as antidotes HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-27 EP disclosed
US-4668276-A FOR HERBICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1987-05-26 US disclosed
US-4652666-A PLANT SAFENING AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
EP-0170905-A1 alpha-acyloximino-alkane-phosphonic(and -phosphinic) acid esters, their preparation and their use in plant protection HOECHST AKTIENGESELLSCHAFT (DE) 1986-02-12 EP disclosed
US-4564382-A HERBICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-14 US disclosed
US-4508906-A 3-Amino-4-(2-pyridyloxy)phenoxyalkanoic and alkenoic acid esters ZOECON CORPORATION (US) 1985-04-02 US disclosed
US-4267317-A CONCURRENT ETHERIFICATION AND DEHYDROGENATION OF A PHENOL BY REACTING WITH A 1-CARBOXY-3-HALOALKANE USING AN ALKALI METAL COMPOUND AND A SPECIAL SOLVENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-05-12 US disclosed
US-4254262-A IN THE PRESENCE OF A QUATERNARY AMMONIUM OR PHOSPHONIUM SALT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-03-03 US disclosed
JP-S5579344-A DERIVATIVE OF 4-(4-HYDROXYPHENOXY)-2-PENTENOIC ACID KUMIAI CHEM IND CO LTD 1980-06-14 JP 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-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 ALDH1A1 1326/4885LMNA 4190/4885MAPT 4268/4885

“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.