SCHEMBL1587499

SCHEMBL1587499

Oc1ccc(C2OCCO2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.43
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PTPN1 P18031 2/20 0.38
ALOX5 P09917 2/20 0.38
SIRT1 Q96EB6 1/20 0.37
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 1/20 0.37
KDM4E B2RXH2 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
YWHAG P61981 1/20 0.36
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL17320655 0.82 ALOX5 (0.55) ALOX15PTPN1ALOX5KDM4EHSD17B10
SCHEMBL4858133 0.82 RAB9A (0.36) KDM1AKDM1BRAB9AMEN1KMT2A
SCHEMBL24574628 0.78 CYP3A4 (0.42) ALOX15PTPN1SIRT1KDM4ECASP1
SCHEMBL2856571 0.77 TP53 (0.41) ALDH1A1SMN1; SMN2TSHRRAB9AMEN1
SCHEMBL5791363 0.77 ABCC9 (0.35) RAB9AMEN1KMT2AHTT
SCHEMBL3711765 0.77 ABCC9 (0.44) MEN1KMT2A
SCHEMBL242386 0.77 DRD3 (0.47) ALOX15PTPN1ALOX5KDM4EHSD17B10
SCHEMBL8010373 0.77 ALOX5 (0.38) PTPN1ALOX5YWHAGRAB9AMEN1
SCHEMBL3695721 0.77 HSD17B10 (0.43) ESR1ESR2PTPN1ALOX5SIRT1
SCHEMBL3695981 0.77 ESR1 (0.43) ESR1ESR2PTPN1ALOX5SIRT1

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 15 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
WO-2008076767-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2008-06-26 WO disclosed
US-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP 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 ALOX15 3083/4885ESR1 1627/4885ESR2 2788/4885
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 ALOX15 308/4885ESR1 3852/4885ESR2 3401/4885

“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.