SCHEMBL1587345

SCHEMBL1587345

COCOc1ccc(C2OCCO2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPT P10636 4/20 0.34
ROR1 Q01973 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
CACNA1F O60840 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
GAA P10253 1/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL10144993 0.86 NPC1 (0.43) ALDH1A1KDM4ECYP2D6CYP2C19CYP3A4
SCHEMBL1121729 0.83 KMT2A (0.44) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL8026642 0.82 ROR1 (0.34) ALDH1A1KDM4ECYP2D6CYP2C19CYP3A4
SCHEMBL12724480 0.81 KDM4E (0.40) ALDH1A1KDM4ECYP2D6CYP2C19MAPT
SCHEMBL12702768 0.77 RAB9A (0.48) KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL15068444 0.73 CYP3A4 (0.39) ALDH1A1KDM4ECYP2D6CYP2C19CYP3A4
SCHEMBL5648424 0.73 MEN1 (0.33) KMT2AMEN1RAB9A
SCHEMBL28119107 0.72 BCHE (0.55) CYP2D6CYP2C19CYP3A4MAPTKMT2A
SCHEMBL2370519 0.72 MAPK1 (0.54) ALDH1A1CYP2D6CYP2C19CYP3A4TSHR
SCHEMBL8491256 0.72 NTRK1 (0.40) ALDH1A1CYP2C19CYP3A4L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946287-B2 Chemotherapeutic flavonoids, and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2015-02-03 US disclosed
US-8946287-B2 Chemotherapeutic flavonoids, and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2015-02-03 US disclosed
US-20110092591-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA S.A. (ES) 2011-04-21 US disclosed
US-20110092591-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA S.A. (ES) 2011-04-21 US disclosed
US-20110092591-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA S.A. (ES) 2011-04-21 US disclosed
EP-2254855-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2010-12-01 EP disclosed
US-20100099755-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2010-04-22 US disclosed
US-20100099755-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2010-04-22 US disclosed
WO-2009098287-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA S.A. (ES) 2009-08-13 WO disclosed
WO-2009098287-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA S.A. (ES) 2009-08-13 WO disclosed
WO-2008076767-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2008-06-26 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-20100099755-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF NRAS, FAU, DPYD ALDH1A1 2572/4885KDM4E 1340/4885CYP2D6 10/4885
US-20110092591-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS PSEN1, PARK7, APP ALDH1A1 1905/4885KDM4E 3491/4885CYP2D6 1884/4885

“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.