SCHEMBL6867416

SCHEMBL6867416

CON=C1C2CC(C2)C[C@H]1C(C)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL1361112 0.75 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL6867409 0.71
SCHEMBL5051725 0.63 MEN1 (0.37) MEN1KMT2AKDM4E
SCHEMBL3137075 0.63 MEN1 (0.33) MEN1KMT2A
SCHEMBL1072568 0.56 KDM4E (0.45) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL13785535 0.56 KDM4E (0.40) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL10798452 0.55 KDM4E (0.50) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL14950267 0.52 ALDH1A1 (0.50) KDM4EALDH1A1LMNA
SCHEMBL10298155 0.52 KDM4E (0.36) KDM4EALDH1A1LMNA
SCHEMBL8398977 0.51 KDM4E (0.45) KDM4EALDH1A1LMNA

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
EP-1069123-B1 PROCESS FOR PRODUCING BENZOTHIOPHENECARBOXYLIC ACID AMIDE DERIVATIVES SHIONOGI & CO (JP) 2004-11-10 EP disclosed
US-20020161242-A1 Process for preparing benzothiophenecarboxamide derivatives HONMA TSUNETOSHI (JP) 2002-10-31 US disclosed
US-20020156297-A1 Process for preparing benzothiophenecarboxamide derivatives OKADA TETSUO (JP) 2002-10-24 US disclosed
US-6465662-B1 OXIDIZING 2-HYDROXYETHYL-10 NORPINAN-3-YL)-2-AMINE AMIDES OF OXY-SUBSTITUTED BENZOTHIOPHENECARBOXYLIC ACIDS TO FORM ALDEHYDES IN THE PRESENCE OF 2,2,6,6-TETRAMETHYLPIPERIDINE-1-OXYLS. SHIONOGI & CO., LTD. (JP) 2002-10-15 US disclosed
US-6462241-B2 REACTING AN AMINO ALCOHOL WITH A BENZOTHIOPHENE, REACTING THE PRODUCT WITH A HALO OXACID IN THE PRESENCE OF 2,2,6,6-TETRA METHYLPIPERIDINE-1-OXYLS, FURTHER REACTING WITH AN YLIDE UNDER WITTIG REACTION CONDITIONS AND DEPROTECTING SHIONOGI & CO., LTD. (JP) 2002-10-08 US disclosed
US-20020115871-A1 Process for preparing benzothiophenecarboxamide derivatives OKADA TETSUO (JP) 2002-08-22 US disclosed
US-6399788-B1 AMIDATION SHIONOGI & CO., LTD. (JP) 2002-06-04 US disclosed
EP-1069123-A1 PROCESS FOR PRODUCING BENZOTHIOPHENECARBOXYLIC ACID AMIDE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2001-01-17 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 (3 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-20020161242-A1 Process for preparing benzothiophenecarboxamide derivatives PGD, HPD, PTGS2 MEN1 4227/4885KMT2A 1417/4885KDM4E 1943/4885
US-20020156297-A1 Process for preparing benzothiophenecarboxamide derivatives PGD, HPD, PTGS2 MEN1 4227/4885KMT2A 1417/4885KDM4E 1943/4885
US-20020115871-A1 Process for preparing benzothiophenecarboxamide derivatives PGD, HPD, PTGS2 MEN1 4227/4885KMT2A 1417/4885KDM4E 1943/4885

“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.