SCHEMBL1801733

SCHEMBL1801733

O=[C]c1ccc(Br)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
TLR9 Q9NR96 1/20 0.46
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
S100A4 P26447 1/20 0.36
TSHR P16473 1/20 0.35
AHR P35869 3/20 0.33
CYP2A6 P11509 3/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR4A2 P43354 1/20 0.32

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
SCHEMBL11508298 0.82 HSP90AA1 (0.37) HSP90AA1TLR9ALOX15MAPK1ALDH1A1
SCHEMBL1798477 0.80 HSP90AA1 (0.46) HSP90AA1TLR9ALOX15MAPK1ALDH1A1
SCHEMBL7740400 0.78
SCHEMBL16401544 0.76 CYP2A6 (0.36) HSP90AA1TLR9ALOX15S100A4AHR
SCHEMBL2366749 0.76 DGAT1 (0.44) HSP90AA1TLR9ALDH1A1S100A4LMNA
SCHEMBL9725139 0.76 PKM (0.38) ALDH1A1AHRCYP2A6MAPTKMT2A
SCHEMBL9328431 0.76 KDM4E (0.41) HSP90AA1TLR9ALOX15MAPK1ALDH1A1
SCHEMBL5158400 0.76 SIGMAR1 (0.36) HSP90AA1TLR9ALOX15MAPK1ALDH1A1
SCHEMBL11110756 0.76 RAB9A (0.38) HSP90AA1MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL2701308 0.76 VCAM1 (0.36) ALOX15ALDH1A1TDP1S100A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
US-5272215-A Modified plastic elastomer block copolymers THE WEST COMPANY, INCORPORATED (US) 1993-12-21 US claimed
EP-4119605-A1 BIO-BASED EVA COMPOSITIONS AND ARTICLES AND METHODS THEREOF Braskem S.A. (BR) 2023-01-18 EP disclosed
EP-2796455-A1 METHOD FOR PRODUCING SULFONATE Sumitomo Chemical Co., Ltd (JP) 2014-10-29 EP disclosed
EP-1889826-B1 METHOD FOR PRODUCING A HEXAHYDROFUROFURANOL DERIVATIVE SUMITOMO CHEMICAL CO (JP) 2011-10-26 EP disclosed
US-7951977-B2 Process for producing hexahydrofurofuranol derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-31 US disclosed
US-20090176999-A1 Process for producing hexahydrofurofuranol derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed
EP-1889826-A1 METHOD FOR PRODUCING HEXAHYDROFUROFURANOL DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2008-02-20 EP disclosed
CN-100357388-C Organic electroluminescent compositions 3M INNOVATIVE PROPERTIES CO (US) 2007-12-26 CN disclosed
CN-1681903-A organic electroluminescent composition 3M INNOVATIVE PROPERTIES CO (US) 2005-10-12 CN disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
US-4798890-A SULFONATION OF A DITHIOAZETIDINONE OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1989-01-17 US disclosed
EP-0281242-A1 Beta-alkylmelatonins ELI LILLY AND COMPANY (US) 1988-09-07 EP disclosed
US-4740596-A Process for preparation of 4-sulfonylthio azetidinone derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1988-04-26 US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 EP disclosed
US-4713452-A Process for preparation of azetidinone derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1987-12-15 US disclosed
US-4087444-A Amides as ovulation inhibitors ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-4022891-A Novel 1α,24-dihydroxycholecalciferol compositions, novel precursors thereof, and processes for preparing them TEIJIN LIMITED (JA) 1977-05-10 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-20090176999-A1 Process for producing hexahydrofurofuranol derivative DHFR, DHPS, CYP4B1 HSP90AA1 4204/4885TLR9 3486/4885ALOX15 1361/4885

“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.