SCHEMBL3904670

SCHEMBL3904670

O=Cc1ccc2cc(OCc3ccccc3)ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.71
MAOB P27338 8/20 0.71
ALOX5 P09917 1/20 0.67
RAB9A P51151 2/20 0.63
LCK P06239 1/20 0.59
NPC1 O15118 2/20 0.56
CCNB2 O95067 1/20 0.56
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CCNB1 P14635 1/20 0.56
CCND1 P24385 1/20 0.56
CCNB3 Q8WWL7 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GSK3B P49841 1/20 0.54
BACE1 P56817 1/20 0.54
TOP1 P11387 1/20 0.53
MEN1 O00255 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL9265860 0.87 RAB9A (0.82) MAOAMAOBALOX5RAB9ALCK
SCHEMBL13802183 0.86 CCNB2 (0.76) MAOAMAOBALOX5RAB9ALCK
SCHEMBL158270 0.84 RAB9A (0.68) MAOAMAOBRAB9ALCKGSK3B
SCHEMBL314161 0.83 MAOB (1.00) MAOAMAOBRAB9ALCKNPC1
SCHEMBL29454637 0.83 MAOB (1.00) MAOAMAOBRAB9ALCKNPC1
SCHEMBL449062 0.83 PLA2G4A (0.53) MAOAMAOBRAB9A
SCHEMBL865349 0.83 RAB9A (0.71) MAOAMAOBRAB9ALCKGSK3B
SCHEMBL1164139 0.83 MAOB (0.74) MAOAMAOBRAB9ALCKNPC1
SCHEMBL450985 0.82 S1PR1 (0.52) MAOAMAOBRAB9AMTNR1A
SCHEMBL1481374 0.82 KDM4E (0.77) MAOBALOX5LCKGSK3BBACE1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 US disclosed
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 US disclosed
EP-1680397-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2006-07-19 EP disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
US-5594016-A ANTIDIABETIC AGENTS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-01-14 US disclosed
EP-0604983-B1 Naphthalene derivatives MITSUBISHI CHEM CORP (JP) 1996-11-20 EP disclosed
EP-0589484-B1 1,2-Ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO LTD (JP) 1996-10-16 EP disclosed
US-5472984-A 1,2-ethanediol derivative and salt thereof and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1995-12-05 US disclosed
EP-0604983-A1 Naphthalene derivatives Mitsubishi Chemical Corporation (JP) 1994-07-06 EP disclosed
EP-0589484-A1 1,2-Ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-30 EP disclosed
EP-0587194-A1 2-(Heterocycloalkoxy)-1-(subst.-phenyl)-ethanol derivatives as cerebral function improving agents TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-16 EP disclosed
EP-0587193-A1 1,2-Ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-16 EP disclosed
US-5280032-A 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-01-18 US disclosed
EP-0383281-A1 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-22 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 (3 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-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK MAOA 1163/4885MAOB 1049/4885ALOX5 2676/4885
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 MAOA 3320/4885MAOB 2227/4885ALOX5 246/4885
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them GPR119, NR1H3, NR1H2 MAOA 3624/4885MAOB 2660/4885ALOX5 1400/4885

“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.