SCHEMBL688956

SCHEMBL688956

CCCCCCOCCCCCC.Cc1cc(O)c(C)c(C)c1O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.49
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
ALOX5 P09917 1/20 0.40
TYR P14679 1/20 0.39
NR5A1 Q13285 1/20 0.39

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
SCHEMBL689247 0.93 ESR1 (0.46) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
Hx-1171 SCHEMBL688955 0.78 ESR1 (0.50) ESR1THRBALOX5NR5A1
Hx-1171 SCHEMBL29375871 0.78 ESR1 (0.50) ESR1THRBALOX5NR5A1
SCHEMBL7607111 0.78 THRA (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29372751 0.75 ACHE (0.48) ESR1MEN1HTTKMT2AMAPT
SCHEMBL2562811 0.75 ACHE (0.48) ESR1MEN1HTTKMT2AMAPT
Methoxymethane SCHEMBL7620185 0.73 CYP3A4 (0.46) ESR1MEN1THRBHTTKMT2A
Methylhydroquinone SCHEMBL28182360 0.73 ESR1 (0.52) ESR1MEN1THRBHTTKMT2A
SCHEMBL14015792 0.72 ESR1 (0.58) ESR1THRBNR5A1
Catechol SCHEMBL8451493 0.71 MEN1 (0.52) MEN1THRBHTTKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107530299-A Chronic respiratory disease therapeutic agent and cardiac fibrosis composite inhibiting 日本海博克斯股份有限公司 2018-01-02 CN claimed
EP-2052719-B1 Curative drug for neurodegenerative diseases NIPPON HYPOX LAB INC (JP) 2013-01-16 EP claimed
EP-2110127-B1 Hepatic Fibrosis Inhibitor NIPPON HYPOX LAB INC (JP) 2012-02-29 EP claimed
CN-101559049-B Hepatic fibrosis inhibitor NIPPON HYPOX LAB INC 2012-02-29 CN claimed
US-7847132-B2 Hepatic fibrosis inhibitor NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2010-12-07 US claimed
US-20100184858-A1 Hepatic fibrosis inhibitor BIOTOXTECH CO., LTD (KR) 2010-07-22 US claimed
US-20100160432-A1 Curative drug for neurodegenerative diseases SUGIYAMA SATORU 2010-06-24 US claimed
US-20090270654-A1 HEPATIC FIBROSIS INHIBITOR NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2009-10-29 US claimed
EP-2110127-A1 Hepatic Fibrosis Inhibitor NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2009-10-21 EP claimed
CN-101559049-A Hepatic fibrosis inhibitor NIPPON HYPOX LAB INC (JP) 2009-10-21 CN claimed
EP-2052719-A1 Curative drug for neurodegenerative diseases NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2009-04-29 EP claimed
US-20090105339-A1 Curative drug for neurodegenerative diseases NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2009-04-23 US claimed
EP-3287128-A1 CHRONIC RESPIRATORY DISEASE THERAPEUTIC AGENT AND CARDIAC FIBRILLATION SUPPRESSING COMPOSITION NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2018-02-28 EP disclosed
US-20180049996-A1 THERAPEUTIC AGENT FOR CHRONIC RESPIRATORY DISEASE AND COMPOSITION FOR INHIBITING CARDIAC FIBROSIS NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2018-02-22 US disclosed
CN-107530299-A Chronic respiratory disease therapeutic agent and cardiac fibrosis composite inhibiting 日本海博克斯股份有限公司 2018-01-02 CN disclosed
EP-2052719-B1 Curative drug for neurodegenerative diseases NIPPON HYPOX LAB INC (JP) 2013-01-16 EP disclosed
EP-2110127-A1 Hepatic Fibrosis Inhibitor NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2009-10-21 EP disclosed
CN-101559049-A Hepatic fibrosis inhibitor NIPPON HYPOX LAB INC (JP) 2009-10-21 CN disclosed
EP-2052719-A1 Curative drug for neurodegenerative diseases NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2009-04-29 EP disclosed
US-20090105339-A1 Curative drug for neurodegenerative diseases NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2009-04-23 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 (5 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-20100184858-A1 Hepatic fibrosis inhibitor HDGF, HAVCR2, FABP1 ESR1 4553/4885AKR1C4 585/4885AKR1C3 156/4885
US-20180049996-A1 THERAPEUTIC AGENT FOR CHRONIC RESPIRATORY DISEASE AND COMPOSITION FOR INHIBITING CARDIAC FIBROSIS TNNI3, TNNT2, MMP1 ESR1 4190/4885AKR1C4 1116/4885AKR1C3 592/4885
US-20090105339-A1 Curative drug for neurodegenerative diseases HTT, SNCA, NQO1 ESR1 4628/4885AKR1C4 671/4885AKR1C3 485/4885
US-20100160432-A1 Curative drug for neurodegenerative diseases HTT, SNCA, NQO1 ESR1 4628/4885AKR1C4 671/4885AKR1C3 485/4885
US-20090270654-A1 HEPATIC FIBROSIS INHIBITOR HDGF, HAVCR2, FABP1 ESR1 4553/4885AKR1C4 585/4885AKR1C3 156/4885

“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.