SCHEMBL652601

SCHEMBL652601

CCCCCCCCOC(=O)C(C)(C)Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
EPHX1 P07099 1/20 0.50
TSHR P16473 4/20 0.49
ALDH1A1 P00352 2/20 0.49
FAAH O00519 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
ESR1 P03372 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45

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
SCHEMBL28919926 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL3645547 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL18018655 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL649600 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL650595 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL652686 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL19865613 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL11457160 0.98 NAAA (0.50) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL29229177 0.96 NAAA (0.50) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL29229150 0.96 NAAA (0.50) NAAAEPHX1TSHRALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114262401-B Photoinduced reversible solid-liquid conversion azobenzene high polymer material and application thereof in trenchless pipeline repair 中国科学技术大学 2022-12-30 CN claimed
CN-114262401-A Photoinduced reversible solid-liquid conversion azobenzene high polymer material and application thereof in trenchless pipeline repair 中国科学技术大学 2022-04-01 CN claimed
CN-114262401-B Photoinduced reversible solid-liquid conversion azobenzene high polymer material and application thereof in trenchless pipeline repair 中国科学技术大学 2022-12-30 CN disclosed
CN-115505185-A Polyethylene functional master batch, preparation method thereof and resin composition containing master batch 中国石油天然气股份有限公司 2022-12-23 CN disclosed
CN-114262401-A Photoinduced reversible solid-liquid conversion azobenzene high polymer material and application thereof in trenchless pipeline repair 中国科学技术大学 2022-04-01 CN disclosed
CN-104220035-B Comprise the absorbent commodity of absorbent resin powder 株式会社利卫多公司 2017-03-01 CN disclosed
CN-104220035-A Absorbent article comprising water -absorbent resin powder LIVEDO CORP 2014-12-17 CN disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8273823-B2 Atom transfer radical polymerization in microemulsion and true emulsion polymerization processes CARNEGIE MELLON UNIVERSITY (US) 2012-09-25 US disclosed
US-8119710-B2 Filled rubber compounds with improved processability BASF SE (DE) 2012-02-21 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-6951911-B2 Cross-linked polymer and process for producing the same, absorptive structure and absorptive article SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-04 US disclosed
US-20050080194-A1 Water absorbing agent, process for its production, and absorbers and absorbent articles made by using the agent SAN-DIA POLYMERS, LTD. (JP) 2005-04-14 US disclosed
CN-1589304-A Water-absorbing agent, method for producing same, and absorbent article using same SAN DIA POLYMERS LTD (JP) 2005-03-02 CN disclosed
EP-1457541-A1 WATER ABSORBING AGENT, PROCESS FOR ITS PRODUCTION, AND ABSORBERS AND ABSORBENT ARTICLES MADE BY USING THE AGENT San-Dia Polymers, Ltd. (JP) 2004-09-15 EP disclosed
US-20040024104-A1 Absorbents and process for producing the same, absorbable constructs and absorbable articles SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-05 US disclosed
CN-1443092-A Absorbents and process for producing same, absorbable constructs and absorbable articles SANYO CHEMICAL IND LTD (JP) 2003-09-17 CN disclosed
EP-1325777-A1 ABSORBENTS AND PROCESS FOR PRODUCING THE SAME, ABSORBABLE CONSTRUCTS AND ABSORBABLE ARTICLES SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-09 EP disclosed
US-20030078349-A1 For use in paper diaper, a physiological napkin, a pad, a paper towel TAGAWA DAISUKE (JP) 2003-04-24 US disclosed
EP-1275669-A1 CROSSLINKED POLYMER, PROCESS FOR PRODUCING THE SAME, ABSORBENT STRUCTURE, AND ABSORBENT ARTICLE SANYO CHEMICAL INDUSTRIES, Ltd. (JP) 2003-01-15 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 (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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 NAAA 1290/4885EPHX1 1017/4885TSHR 772/4885

“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.