SCHEMBL7859778

SCHEMBL7859778

COc1ccc(Cc2ccc(N)cc2)c(F)c1Oc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
CYP19A1 P11511 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
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
SCHEMBL3987215 0.85 MAPT (0.48) MAOBGAAMAPTTSHRMAPK1
SCHEMBL3988125 0.80 MAPK8 (0.45) MAPTTSHRHTTSMN1; SMN2LMNA
SCHEMBL7859648 0.78 SLC6A4 (0.43) MAOBMAPTTSHRHTR2ASLC6A4
SCHEMBL3987501 0.78 ALDH1A1 (0.40) GAAMAPK1HTTHTR2ASLC6A4
SCHEMBL3985498 0.78 TTR (0.40) GAAMAPK1HTTHTR2ASLC6A4
SCHEMBL3038603 0.75 GAA (0.69) MAOBCYP19A1GAAMAPTTSHR
SCHEMBL8892263 0.74 THRB (0.43) MAPTHTR2ASLC6A4KCNH2MEN1
SCHEMBL3991197 0.74 MAPT (0.44) CYP19A1MAPTHTTSMN1; SMN2LMNA
SCHEMBL9538832 0.73 GAA (0.43) GAAMAPTTSHRMAPK1HTT
SCHEMBL18998446 0.71 THRB (0.40) MAPTHTR2ASLC6A4KCNH2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877816-B2 4-(or 5-) substituted catechol derivatives DECODE GENETICS EHF (IS) 2014-11-04 US disclosed
US-8877816-B2 4-(or 5-) substituted catechol derivatives DECODE GENETICS EHF (IS) 2014-11-04 US disclosed
WO-2009067597-A1 4- (OR 5-) SUBSTITUTED CATECHOL DERIVATIVES DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
US-20090131530-A1 4- (OR 5-) SUBSTITUTED CATECHOL DERIVATIVES DECODE GENETICS EHF (IS) 2009-05-21 US disclosed
US-20090131530-A1 4- (OR 5-) SUBSTITUTED CATECHOL DERIVATIVES DECODE GENETICS EHF (IS) 2009-05-21 US 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 (1 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-20090131530-A1 4- (OR 5-) SUBSTITUTED CATECHOL DERIVATIVES PDE4A, PDE4B, PDE3B MAOB 33/4885CYP19A1 693/4885GAA 713/4885

“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.