SCHEMBL6459702

SCHEMBL6459702

CCCCC(Oc1ccccc1C=O)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
CTSK P43235 4/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PLIN1 O60240 1/20 0.37
POLB P06746 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
SCHEMBL11755152 0.90 TDP1 (0.42) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL6235795 0.86 PPARG (0.49) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL7642845 0.85 PTGDR2 (0.38) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2329831 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CTSKLMNACYP1A2
SCHEMBL25757370 0.82 CTRC (0.47) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL5671783 0.81 MGLL (0.37) ALDH1A1HPGDCA2CA1KDM4E
SCHEMBL5695157 0.80 CYP1A2 (0.47) ALDH1A1HTTSMN1; SMN2TSHRCA2
SCHEMBL5695165 0.80 KDM4E (0.55) ALDH1A1HPGDHTTTSHRCA2
SCHEMBL14634320 0.80 RORC (0.40) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL6459325 0.79 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448503-A1 PROCESS FOR THE PREPARATION OF BENZOFURANS Cambrex Profarmaco Milano S.r.l. (IT) 2024-10-23 EP claimed
WO-2023110528-A1 PROCESS FOR THE PREPARATION OF BENZOFURANS CAMBREX PROFARMACO MILANO S.R.L. (IT) 2023-06-22 WO claimed
EP-4448503-A1 PROCESS FOR THE PREPARATION OF BENZOFURANS Cambrex Profarmaco Milano S.r.l. (IT) 2024-10-23 EP disclosed
WO-2023110528-A1 PROCESS FOR THE PREPARATION OF BENZOFURANS CAMBREX PROFARMACO MILANO S.R.L. (IT) 2023-06-22 WO disclosed
WO-2023110528-A1 PROCESS FOR THE PREPARATION OF BENZOFURANS CAMBREX PROFARMACO MILANO S.R.L. (IT) 2023-06-22 WO disclosed
CN-114539193-A Preparation method of amiodarone hydrochloride intermediate 海南普利制药股份有限公司 2022-05-27 CN disclosed
CN-108675972-B Preparation method of amiodarone hydrochloride intermediate 2-butyl benzofuran 北京嘉林药业股份有限公司 2020-09-11 CN disclosed
US-7312345-B2 Process for the preparation of dronedarone ISP INVESTMENTS INC. (US) 2007-12-25 US disclosed
US-20050113596-A1 Nitrating a 2-(2-formylphenoxy) or 2-(2-formylphenylsulfido) alkyl ester or alkoic acid in the presence of sulfuric acid SHASUN PHARMA SOLUTIONS, INC. 2005-05-26 US disclosed
US-6855842-B1 Intermediates for making a bezofuran or benzothiophene derivative nitrated in position 5 and uses thereof RHODIA CHIMIE (FR) 2005-02-15 US disclosed
US-6555697-B1 Cyclizing a 1-(2-carboxyethyloxy or thio-),2-formylbenzene in the presence of an efficient amount of a carbonate base in a medium comprising a carboxylic acid anhydride; intermediate for 2-n-butyl-5-nitrobenzofuran RHODIA CHIMIE (FR) 2003-04-29 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 (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-20050113596-A1 Nitrating a 2-(2-formylphenoxy) or 2-(2-formylphenylsulfido) alkyl ester or alkoic acid in the presence of sulfuric acid SULT1A1, SULT1E1, FPR1 PTGDR2 1817/4885ALDH1A1 111/4885HPGD 1341/4885

“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.