SCHEMBL921656

SCHEMBL921656

NCCCCCC1CCC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.86
RAD52 P43351 1/20 0.44
CYP1A2 P05177 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
DNM1 Q05193 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
POLB P06746 1/20 0.39
NFKB1 P19838 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
SCHEMBL23965563 1.00 SIGMAR1 (0.86) SIGMAR1RAD52CYP1A2CA12CA1
SCHEMBL919889 0.97
SCHEMBL3959390 0.95 SIGMAR1 (0.95) SIGMAR1RAD52CYP1A2CA12CA1
SCHEMBL8781979 0.95 SIGMAR1 (0.95) SIGMAR1RAD52CYP1A2CA12CA1
SCHEMBL22857735 0.95 SIGMAR1 (0.95) SIGMAR1RAD52CYP1A2CA12CA1
SCHEMBL5072429 0.92 SIGMAR1 (1.00) SIGMAR1RAD52CYP1A2CA12CA1
SCHEMBL20925672 0.92 SIGMAR1 (1.00) SIGMAR1RAD52CYP1A2CA12CA1
SCHEMBL13951245 0.92 SIGMAR1 (1.00) SIGMAR1RAD52CYP1A2CA12CA1
SCHEMBL24556958 0.92 SIGMAR1 (1.00) SIGMAR1RAD52CYP1A2CA12CA1
SCHEMBL18962201 0.92 SIGMAR1 (1.00) SIGMAR1RAD52CYP1A2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11387404-B2 Magnetoelectric spin orbit logic based minority gate INTEL CORPORATION (US) 2022-07-12 US disclosed
US-20210040547-A1 HiC: Method Of Identifying Regulatory Interactions Between Genomic Loci UNIVERSITY OF MASSACHUSETTS 2021-02-11 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110098300-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA, S.A. (BE) 2011-04-28 US disclosed
EP-2300426-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2011-03-30 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
US-20100305116-A1 Compounds Comprising a Cyclobutoxy Group UCB PHARMA, S.A. (BE) 2010-12-02 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 EP disclosed
US-20100081204-A1 NUCELIC-ACID-RESPONSIVE GEL, METHOD FOR PRODUCING SAME, AND USE OF SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-01 US disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
EP-2146980-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma S.A. (BE) 2010-01-27 EP disclosed
WO-2009147149-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-12-10 WO disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO disclosed
WO-2008128919-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA S.A. (BE) 2008-10-30 WO disclosed
EP-0994108-B1 PROCESS FOR PRODUCING 2-HYDROXYBENZAMIDE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-05-14 EP disclosed
US-6197970-B1 REACTING WITH SECONDARY OR TERTIARY AMINE; DEBLOCKING, DEPROTECTING ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0994108-A1 PROCESS FOR PRODUCING 2-HYDROXYBENZAMIDE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 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 (6 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX SIGMAR1 4730/4885RAD52 3955/4885CYP1A2 3215/4885
US-20100305116-A1 Compounds Comprising a Cyclobutoxy Group HMGCR, TECR, CYP4A11 SIGMAR1 749/4885RAD52 3994/4885CYP1A2 72/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 SIGMAR1 3827/4885RAD52 4352/4885CYP1A2 2625/4885
US-20110098300-A1 Compounds Comprising A Cyclobutoxy Group CHAT, BACE1, GRIN2B SIGMAR1 912/4885RAD52 4849/4885CYP1A2 213/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 SIGMAR1 3290/4885RAD52 2722/4885CYP1A2 2061/4885
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 SIGMAR1 2050/4885RAD52 4622/4885CYP1A2 20/4885

“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.