SCHEMBL4212043

SCHEMBL4212043

COC(=O)c1ccc(OCc2ccc(OC)cc2)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.58
MAOA P21397 4/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
PDK2 Q15119 1/20 0.57
PDK4 Q16654 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.56
SMPD1 P17405 1/20 0.54

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
SCHEMBL15615390 0.91 MAOB (0.58) MAOBMAOACA12CA1CA2
SCHEMBL7765941 0.90 SMPD1 (0.56) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL7911129 0.89 MAOB (0.75) MAOBMAOACA12CA1CA2
SCHEMBL7900785 0.89 MAOB (0.75) MAOBMAOACA12CA1CA2
SCHEMBL629952 0.88 MAOB (0.74) MAOBMAOACA12CA1CA2
SCHEMBL29032389 0.87 SMPD1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL31166914 0.87 MAOB (0.76) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL3540404 0.87 MAOB (0.76) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL7911261 0.86 MAOB (0.56) MAOBMAOACA12CA1CA2
SCHEMBL7911046 0.86 MAOB (0.57) MAOBMAOAMAPTHTTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438174-A Compounds and their use as MIF inhibitors 南京艾美斐生物医药科技有限公司 2023-07-14 CN disclosed
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
US-20070203230-A1 Novel Tricyclic Spiroderivatives as Modulators of Chemokine Receptor Activity ASTRAZENECA AB 2007-08-30 US disclosed
US-20070203229-A1 Novel Tricyclic Spiroderivatives as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2007-08-30 US disclosed
US-20070021498-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-01-25 US disclosed
EP-1678156-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2006-07-12 EP disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US disclosed
WO-2005037814-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2005-04-28 WO disclosed
EP-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 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 (5 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-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines REN, TACR1, AGTR1 MAOB 1938/4885MAOA 3038/4885CA12 4572/4885
US-20070203230-A1 Novel Tricyclic Spiroderivatives as Modulators of Chemokine Receptor Activity CXCR1, CXCR2, CXCR4 MAOB 3191/4885MAOA 4309/4885CA12 4406/4885
US-20070203229-A1 Novel Tricyclic Spiroderivatives as Modulators of Chemokine Receptor Activity CXCR1, CXCR2, CXCR4 MAOB 3191/4885MAOA 4309/4885CA12 4406/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 MAOB 1908/4885MAOA 3064/4885CA12 4571/4885
US-20070021498-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity CXCR1, CXCR2, CXCR4 MAOB 3287/4885MAOA 4352/4885CA12 4497/4885

“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.