SCHEMBL688109

SCHEMBL688109

CCCCCCOc1cc(C)c(OC(C)=O)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.46
THRB P10828 4/20 0.46
ALOX5 P09917 2/20 0.46
HTT P42858 1/20 0.43
POLB P06746 1/20 0.41
ESR1 P03372 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PLA2G2A P14555 1/20 0.41
S1PR5 Q9H228 2/20 0.40

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
SCHEMBL9053303 0.87 HTT (0.44) ALOX5HTTPOLBMEN1LMNA
SCHEMBL9015990 0.84 HTT (0.44) ALOX5HTTPOLBMEN1LMNA
SCHEMBL7096822 0.82 HTT (0.45) HTTPOLBMEN1LMNAADRA2A
SCHEMBL19295731 0.78 THRA (0.42) THRATHRBESR1LMNACYP3A4
SCHEMBL2910532 0.77 POLB (0.62) HTTPOLBMAPTKMT2AALDH1A1
Hx-1171 SCHEMBL29375871 0.76 ESR1 (0.50) THRATHRBALOX5ESR1
Hx-1171 SCHEMBL688955 0.76 ESR1 (0.50) THRATHRBALOX5ESR1
SCHEMBL10618373 0.75 THRA (0.53) THRATHRBALOX5HTTESR1
SCHEMBL6741473 0.75 SMPD1 (0.46) ALOX5MEN1NR1I2LMNACHRM2
SCHEMBL8600805 0.75 HTT (0.44) HTTPOLBADRA2AMAPTOPRK1

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 18 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 claimed
EP-2110127-B1 Hepatic Fibrosis Inhibitor NIPPON HYPOX LAB INC (JP) 2012-02-29 EP 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
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-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 THRA 3624/4885THRB 3151/4885ALOX5 1889/4885
US-20090105339-A1 Curative drug for neurodegenerative diseases HTT, SNCA, NQO1 THRA 4644/4885THRB 4500/4885ALOX5 1284/4885
US-20100160432-A1 Curative drug for neurodegenerative diseases HTT, SNCA, NQO1 THRA 4644/4885THRB 4500/4885ALOX5 1284/4885
US-20090270654-A1 HEPATIC FIBROSIS INHIBITOR HDGF, HAVCR2, FABP1 THRA 3624/4885THRB 3151/4885ALOX5 1889/4885

“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.