SCHEMBL4601674

SCHEMBL4601674

O=C(O)c1cccc(-c2cc3ccccc3o2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.58
MAOA P21397 1/20 0.58
HDAC2 Q92769 1/20 0.55
KMO O15229 1/20 0.54
KEAP1 Q14145 1/20 0.54
ALOX5 P09917 1/20 0.54
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL1675476 0.85 HPSE (0.53) HDAC2KDM4EALDH1A1POLBRAB9A
SCHEMBL980203 0.84 TNKS (0.66) MAOBMAOAHDAC2ALOX5KDM4E
SCHEMBL5786569 0.82 RXRA (0.51) KMOKEAP1KDM4EALDH1A1POLB
SCHEMBL12837717 0.82 KDM5C (0.54) HDAC2ALOX5KDM4EALDH1A1MEN1
SCHEMBL12171402 0.82 CYP19A1 (0.62) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30285970 0.81 CSNK2A1 (0.52) MAOBMAOAHDAC2ALOX5KDM4E
SCHEMBL977340 0.81 FFAR1 (0.58) MAOBHDAC6TNKS
SCHEMBL977056 0.81 HDAC6 (0.73) MAOBHDAC2KMOKDM4EALDH1A1
SCHEMBL5787184 0.81 KEAP1 (0.50) KMOKEAP1KDM4EALDH1A1POLB
SCHEMBL13851459 0.81 RAB9A (0.69) MAOBKDM4EALDH1A1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
US-20060205751-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-09-14 US claimed
EP-1648885-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 EP claimed
WO-2005009993-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-03 WO claimed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
US-20060205751-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-09-14 US disclosed
EP-1648885-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 EP disclosed
WO-2005009993-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-03 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-20060205751-A1 Novel compounds KCNN2, KCNN3, KCNN1 MAOB 2468/4885MAOA 2863/4885HDAC2 2635/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R MAOB 198/4885MAOA 148/4885HDAC2 1250/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 MAOB 326/4885MAOA 1515/4885HDAC2 3237/4885

“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.