SCHEMBL689247

SCHEMBL689247

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.46
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ESR2 Q92731 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
ALOX5 P09917 1/20 0.35
RARB P10826 1/20 0.35

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
SCHEMBL688956 0.93 ESR1 (0.49) ESR1HTTAKR1C4AKR1C3AKR1C2
SCHEMBL2562811 0.78 ACHE (0.48) ESR1HTTLMNAHPGDMAPK1
SCHEMBL29372751 0.78 ACHE (0.48) ESR1HTTLMNAHPGDMAPK1
SCHEMBL70458 0.78 ACHE (0.48) ESR1HTTLMNAHPGDMAPK1
SCHEMBL30367452 0.76 ESR1 (0.47) ESR1PTGS1PTGS2LMNANPSR1
SCHEMBL689246 0.76 ESR1 (0.47) ESR1PTGS1PTGS2LMNANPSR1
SCHEMBL25330542 0.76 ESR1 (0.41) ESR1HTTLMNANPC1HPGD
Methoxymethane SCHEMBL7620185 0.76 CYP3A4 (0.46) ESR1PTGS1PTGS2HTTLMNA
Propionic Acid SCHEMBL29187701 0.72 FFAR3 (0.40) ESR1PTGS1HTTLMNANPC1
Butyric Acid SCHEMBL29187703 0.71 FFAR3 (0.46) ESR1TSHRHTTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2052719-B1 Curative drug for neurodegenerative diseases NIPPON HYPOX LAB INC (JP) 2013-01-16 EP disclosed
EP-2110127-B1 Hepatic Fibrosis Inhibitor NIPPON HYPOX LAB INC (JP) 2012-02-29 EP disclosed
US-7847132-B2 Hepatic fibrosis inhibitor NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2010-12-07 US disclosed
US-20100184858-A1 Hepatic fibrosis inhibitor BIOTOXTECH CO., LTD (KR) 2010-07-22 US disclosed
US-20100160432-A1 Curative drug for neurodegenerative diseases SUGIYAMA SATORU 2010-06-24 US disclosed
US-20090270654-A1 HEPATIC FIBROSIS INHIBITOR NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2009-10-29 US disclosed
EP-2110127-A1 Hepatic Fibrosis Inhibitor NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2009-10-21 EP 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 (4 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 4553/4885TSHR 3929/4885PTGS1 68/4885
US-20090105339-A1 Curative drug for neurodegenerative diseases HTT, SNCA, NQO1 ESR1 4628/4885TSHR 4691/4885PTGS1 986/4885
US-20100160432-A1 Curative drug for neurodegenerative diseases HTT, SNCA, NQO1 ESR1 4628/4885TSHR 4691/4885PTGS1 986/4885
US-20090270654-A1 HEPATIC FIBROSIS INHIBITOR HDGF, HAVCR2, FABP1 ESR1 4553/4885TSHR 3929/4885PTGS1 68/4885

“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.