SCHEMBL6774718

SCHEMBL6774718

C=Cc1ccc(OCC(=O)OC)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.65
ALDH1A1 P00352 2/20 0.51
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 2/20 0.48
MAPT P10636 1/20 0.48
ALOX5 P09917 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SYK P43405 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL2608056 0.86 PTGS2 (0.57) PTGS2ALDH1A1MEN1KMT2A
SCHEMBL2116437 0.85 PTGS2 (0.66) PTGS2ALDH1A1CYP2C9CYP2C19GAA
SCHEMBL6778438 0.85 GAA (0.62) PTGS2ALDH1A1CYP2C9CYP2C19GAA
SCHEMBL1950164 0.84 PTGS2 (0.67) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL9216090 0.83 PTGS2 (0.65) PTGS2ALDH1A1CYP2C9CYP2C19GAA
SCHEMBL6778614 0.82 MAPT (0.61) PTGS2ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL9626682 0.82 PTGS2 (0.46) PTGS2ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL412718 0.82 MEN1 (0.50) PTGS2ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL9626778 0.82 PTGS2 (0.46) PTGS2ALDH1A1GAAMAPTALOX5
SCHEMBL9628616 0.82 MAPT (0.47) PTGS2ALDH1A1GAAMAPTSMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348351-A1 COMPOUND, POLYMER, COMPOSITION, COMPOSITION FOR FILM FORMATION, PATTERN FORMATION METHOD, INSULATING FILM FORMATION METHOD, AND METHOD FOR PRODUCING COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-11-02 US disclosed
US-20230348351-A1 COMPOUND, POLYMER, COMPOSITION, COMPOSITION FOR FILM FORMATION, PATTERN FORMATION METHOD, INSULATING FILM FORMATION METHOD, AND METHOD FOR PRODUCING COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-11-02 US disclosed
WO-2022138670-A1 COMPOUND, POLYMER, COMPOSITION, FILM-FORMING COMPOSITION, PATTERN FORMATION METHOD, METHOD FOR FORMING INSULATING FILMS, AND COMPOUND PRODUCTION METHOD 三菱瓦斯化学株式会社 2022-06-30 WO disclosed
US-20170136450-A1 POLYMER CONTAINING CARBOXYL GROUP, PREPARATION METHOD AND APPLICATION THEREOF, SUPPORTED CATALYST AND PREPARATION METHODS THEREOF AND PREPARATION METHODS OF PENEM ANTIBIOTIC INTERMEDIATE ASYMCHEM LABORATORIES (FUXIN) CO., LTD. (CN) 2017-05-18 US disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
US-6770780-B1 QUATERNIZATION OF T-BUTYL BROMOACETATE WITH TRI(N-BUTYL)PHOSPHINE TO FORM PHOSPHONIUM SALT; REACTING WITH BASE TO FORM PHOSPHORUS YLIDE; FORMING 2,4,6-TRIS(3', 5'-DI-T-BUTYL-4'-HYDROXYBENZYL)METHYL-STYRENE; HYDROLYSIS JSR CORPORATION (JP) 2004-08-03 US disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 EP disclosed
EP-0476865-A1 Resist material and process for forming pattern using the same WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-03-25 EP 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 (2 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-20230348351-A1 COMPOUND, POLYMER, COMPOSITION, COMPOSITION FOR FILM FORMATION, PATTERN FORMATION METHOD, INSULATING FILM FORMATION METHOD, AND METHOD FOR PRODUCING COMPOUND PHOSPHO1, RER1, RIF1 PTGS2 3294/4885ALDH1A1 3361/4885CYP2C9 2536/4885
US-20170136450-A1 POLYMER CONTAINING CARBOXYL GROUP, PREPARATION METHOD AND APPLICATION THEREOF, SUPPORTED CATALYST AND PREPARATION METHODS THEREOF AND PREPARATION METHODS OF PENEM ANTIBIOTIC INTERMEDIATE PGM2, MGAM, MRPL21 PTGS2 582/4885ALDH1A1 3195/4885CYP2C9 898/4885

“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.