SCHEMBL2565617

SCHEMBL2565617

COc1ccc(-c2cc3c(OC)cccc3s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.64
NPC1 O15118 1/20 0.64
ALDH1A1 P00352 1/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
NFKB1 P19838 1/20 0.64
RAB9A P51151 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HSD17B10 Q99714 1/20 0.64
APP P05067 3/20 0.50
CA2 P00918 1/20 0.50
HDAC6 Q9UBN7 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49

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
SCHEMBL8184083 0.87 CA2 (0.53) MAPK1NPC1ALDH1A1TP53MAPT
SCHEMBL3043658 0.86 APP (0.53) MAPK1NPC1ALDH1A1TP53MAPT
SCHEMBL6286645 0.86 HSP90AA1 (0.53) MAPK1NPC1ALDH1A1TP53MAPT
SCHEMBL3052870 0.83 APP (0.49) MAPK1NPC1ALDH1A1TP53MAPT
SCHEMBL6278710 0.83 NPC1 (0.62) MAPK1NPC1ALDH1A1TP53MAPT
SCHEMBL3051936 0.80 APP (0.52) MAPK1NPC1ALDH1A1TP53MAPT
SCHEMBL311821 0.78 ALDH1A1 (1.00) MAPK1NPC1ALDH1A1TP53MAPT
SCHEMBL7768257 0.78 ESR1 (0.56) KCNH2
SCHEMBL6173418 0.77 RAB9A (0.68) MAPK1NPC1ALDH1A1TP53MAPT
SCHEMBL13299933 0.75 APP (0.55) MAPK1NPC1ALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011132194-A1 PROCESS FOR THE PREPARATION OF RALOXIFENE HYDROCHLORIDE HETERO RESEARCH FOUNDATION (IN) 2011-10-27 WO disclosed
EP-0832889-B1 Process for the synthesis of benzothiophenes LILLY CO ELI (US) 2006-03-01 EP disclosed
US-6921827-B2 Process for preparing 3-aryl-benzo{b} thiophenes ELI LILLY AND COMPANY (US) 2005-07-26 US disclosed
US-20040132775-A1 Process for preparing 3-aryl-benzo{b} thiophenes LUKE WAYNE DOUGLAS (US) 2004-07-08 US disclosed
EP-0838464-B1 Substituted benzo(b)thiophene compounds having activity as selective estrogen receptor modulators LILLY CO ELI (US) 2003-09-10 EP disclosed
EP-0842930-B1 Process for the synthesis of benzothiophenes LILLY CO ELI (US) 2002-05-15 EP disclosed
US-6372945-B1 OXIDIZING BENZYL SULFIDE, REACTING BENZYL SULFOXIDE FORMED WITH STRONG BASE TO FORM BENZYLIC ANION, CONDENSING ANION WITH BENZALDEHYDE, REACTING CONDENSATION PRODUCT WITH ACID CHLORIDE TO PRODUCE ESTER, TREATING ESTER WITH STRONG BASE ELI LILLY AND COMPANY 2002-04-16 US disclosed
US-6350777-B2 METHOXY/ETHOXY SUBSTITUTED 3-AROYL-2-ARYLBENZO(B)THIOPHENES AND BENZO(B)THIOPHENE ANALOGUES; ANTITUMOR AGENTS; CYTOTOXICITY BAYLOR UNIVERSITY 2002-02-26 US disclosed
US-20010034454-A1 Description anti-mitotic agents which inhibit tubulin polymerization BYLOR UNIVERSITY AND ARIZONA DESEASE CONTROL RESEARCH COMMISSION 2001-10-25 US disclosed
EP-0693488-B1 An improved process for preparing 3-(4-aminoethoxy-benzoyl)benzo beta -thiophenes LILLY CO ELI (US) 2001-09-19 EP disclosed
US-5606075-A CYCLIZATION IN THE PRESENCE OF AN ACID CATALYST ELI LILLY AND COMPANY (US) 1997-02-25 US disclosed
US-5606076-A CYCLIZATION IN PRESENCE OF AN ACID CATALYST ELI LILLY AND COMPANY (US) 1997-02-25 US disclosed
WO-1996040677-A1 PROCESS FOR THE SYNTHESIS OF BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
WO-1996040693-A1 PROCESS FOR THE SYNTHESIS OF VINYL SULFENIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
WO-1996040676-A1 PROCESS FOR THE SYNTHESIS OF BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
US-5569772-A CHEMICAL INTERMEDIATES ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5523416-A Process for preparing 3-(4-aminoethoxy-benzoyl) benzo (B)-thiophenes ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed
US-5514826-A INTERMEDIATES FOR 2-ARYLBENZO(B)THIOPHENES ELI LILLY AND COMPANY (US) 1996-05-07 US disclosed
US-5512701-A REACTING SULFOXIDE DERIVATIVE WITH A SILYATING AGENT TO FORM SULFENATE SILYL ESTER, OPTIONALLY REACTING INTERMEDIATE WITH AN AMINE AND/OR A MERCAPTAN ELI LILLY AND COMPANY (US) 1996-04-30 US disclosed
EP-0693488-A1 An improved process for preparing 3-(4-aminoethoxy-benzoyl)benzo beta -thiophenes ELI LILLY AND COMPANY (US) 1996-01-24 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-20040132775-A1 Process for preparing 3-aryl-benzo{b} thiophenes TBCB, CYP1B1, TST MAPK1 687/4885NPC1 2138/4885ALDH1A1 2025/4885
US-20010034454-A1 Description anti-mitotic agents which inhibit tubulin polymerization TUBB, TUBB1, TUBB3 MAPK1 2104/4885NPC1 3002/4885ALDH1A1 2348/4885

“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.