SCHEMBL16334384

SCHEMBL16334384

COc1ccc(C(OC2CCCCO2)c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.39
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16543024 0.87 NPC1 (0.41) NPC1RAB9AHPGDSLC6A3SLC6A2
SCHEMBL29167883 0.81 SLC6A3 (0.44) MEN1KMT2AHPGDSLC6A3SLC6A2
SCHEMBL813805 0.79 NPC1 (0.46) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL5159871 0.76 ALDH1A1 (0.37) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL1930633 0.75 ALDH1A1 (0.42) NPC1RAB9AHPGDSLC6A3SLC6A2
SCHEMBL11059342 0.75 CHRNA7 (0.43) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL8321392 0.73 RAB9A (0.42) NPC1RAB9AKMT2AHPGDL3MBTL1
SCHEMBL8321396 0.73 NPC1 (0.50) NPC1RAB9AMEN1KMT2A
SCHEMBL8633052 0.72 CACNA1B (0.45) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL1755700 0.72 PTGER4 (0.35) NPC1RAB9AMEN1KMT2ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650357-B2 Reagent for enhancing generation of chemical species TOYO GOSEI CO., LTD. (JP) 2017-05-16 US disclosed
US-9650357-B2 Reagent for enhancing generation of chemical species TOYO GOSEI CO., LTD. (JP) 2017-05-16 US disclosed
US-9650357-B2 Reagent for enhancing generation of chemical species TOYO GOSEI CO., LTD. (JP) 2017-05-16 US disclosed
US-20160259245-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES AND MANUFACTURING APPARATUS OSAKA UNIVERSITY (JP) 2016-09-08 US disclosed
US-20160259245-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES AND MANUFACTURING APPARATUS OSAKA UNIVERSITY (JP) 2016-09-08 US disclosed
US-20160259245-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES AND MANUFACTURING APPARATUS OSAKA UNIVERSITY (JP) 2016-09-08 US disclosed
US-20160194300-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES OSAKA UNIVERSITY (JP) 2016-07-07 US disclosed
US-20160194300-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES OSAKA UNIVERSITY (JP) 2016-07-07 US disclosed
US-20160194300-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES OSAKA UNIVERSITY (JP) 2016-07-07 US disclosed
WO-2015052914-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES AND MANUFACTURING APPARATUS TOYO GOSEI CO., LTD. (JP) 2015-04-16 WO disclosed
US-20150060728-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES TOYO GOSEI CO., LTD. (JP) 2015-03-05 US disclosed
WO-2014208076-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES TOYO GOSEI CO., LTD. (JP) 2014-12-31 WO 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 (2 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-20160194300-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES CYBB, PPOX, GPX4 NPC1 4730/4885RAB9A 1107/4885MEN1 2352/4885
US-20150060728-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES PPOX, HMBS, CYBB NPC1 4775/4885RAB9A 1923/4885MEN1 2023/4885

“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.