SCHEMBL2085345

SCHEMBL2085345

C1=C(c2cc3ccccc3o2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
MAOA P21397 3/20 0.45
METAP2 P50579 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ADRA2A P08913 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
ALOX5 P09917 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41

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
SCHEMBL29028841 0.95 TDP1 (0.46) MAOBMAOAMETAP2KDM4EALDH1A1
SCHEMBL5585118 0.76 MAOB (0.47) MAOBMAOAMETAP2KDM4EALDH1A1
SCHEMBL4148268 0.76 PRKDC (0.44) MAOBMAOAMETAP2KDM4EALDH1A1
SCHEMBL4357694 0.76 SIGMAR1 (0.50) MAOBMAOAMETAP2KDM4EALDH1A1
SCHEMBL30036439 0.74 MAOB (0.63) MAOBMAOAMETAP2KDM4EALDH1A1
SCHEMBL103158 0.74 MAOB (0.63) MAOBMAOAMETAP2KDM4EALDH1A1
SCHEMBL10900184 0.73 RAB9A (0.46) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL10901794 0.73 NPC1 (0.46) CYP2D6HPGDNPC1RAB9AMAPT
SCHEMBL11112466 0.73 MAOB (0.49) MAOBMAOAMETAP2KDM4EALDH1A1
SCHEMBL2150499 0.71 MAOB (0.59) MAOBMAOAMETAP2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716493-B2 Multicyclic compounds and the use thereof CEPHALON, INC. (US) 2014-05-06 US disclosed
EP-2066324-B1 CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON INC (US) 2013-05-29 EP disclosed
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF CEPHALON, INC. (US) 2011-03-10 US disclosed
EP-2050750-B1 Multicyclic compounds and their use as inhibitors of PARP, VEGFR2 and MLK3 enzymes CEPHALON INC (US) 2010-09-22 EP disclosed
EP-2066324-A2 CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2009-06-10 EP disclosed
EP-2050750-A2 Multicyclic compounds and their use as inhibitors of PARP, VEGFR2 and MLK3 enzymes CEPHALON, INC. (US) 2009-04-22 EP disclosed
WO-2007149451-A2 CYCLOALKANOPYRROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2007-12-27 WO disclosed
EP-1754707-A2 Multicyclic compounds and their use as inhibitors of PARP, VEGFR2 and MLK3 enzymes CEPHALON, INC. (US) 2007-02-21 EP disclosed
US-20060276497-A1 Novel multicyclic compounds and the use thereof CEPHALON, INC. (US) 2006-12-07 US disclosed
US-7122679-B2 Multicyclic compounds and the use thereof CEPHALON, INC. (US) 2006-10-17 US disclosed
EP-1294725-B1 MULTICYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PARP, VEGFR2 AND MLK3 ENZYMES CEPHALON INC (US) 2006-01-04 EP disclosed
EP-1294725-A2 MULTICYCLIC COMPOUNDS AND THE USE THEREOF AS INHIBITORS OF PARP, VEGFR2 AND MLK3 ENZYMES CEPHALON, INC. (US) 2003-03-26 EP disclosed
US-20020028815-A1 Novel multicyclic compounds and the use thereof CEPHALON, INC. 2002-03-07 US disclosed
WO-2001085686-A2 MULTICYCLIC COMPOUNDS AND THE USE AS INHIBITORS OF PARP, VEGFR2 AND MLK3 ENZYMES CEPHALON, INC. (US) 2001-11-15 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 (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-20060276497-A1 Novel multicyclic compounds and the use thereof MLKL, PARP3, PARP1 MAOB 829/4885MAOA 795/4885METAP2 1976/4885
US-20020028815-A1 Novel multicyclic compounds and the use thereof MLKL, PARP3, PARP1 MAOB 829/4885MAOA 795/4885METAP2 1976/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 MAOB 829/4885MAOA 795/4885METAP2 1976/4885

“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.