SCHEMBL661672

SCHEMBL661672

COc1cc(Br)c(C(C)=O)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
CYP3A4 P08684 4/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 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
SCHEMBL12072023 0.93 HTT (0.61) HTTLCKFYNCYP3A4MAPT
SCHEMBL7112806 0.86 LCK (0.71) HTTLCKFYNCYP3A4MAPT
SCHEMBL2157945 0.85 LCK (0.76) HTTLCKFYNCYP3A4MAPT
SCHEMBL31412873 0.85 LCK (0.76) HTTLCKFYNCYP3A4MAPT
SCHEMBL24379203 0.84 LCK (0.53) HTTLCKFYNCYP3A4MAPT
SCHEMBL30210988 0.84 LCK (0.53) HTTLCKFYNCYP3A4MAPT
SCHEMBL2162801 0.84 LCK (0.53) HTTLCKFYNCYP3A4MAPT
SCHEMBL14780513 0.82 HTT (0.81) HTTCYP3A4MAPTHPGDLMNA
SCHEMBL31175997 0.82 HTT (0.81) HTTCYP3A4MAPTHPGDLMNA
SCHEMBL24497291 0.82 HTT (0.62) HTTCYP3A4MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 US disclosed
US-7985879-B2 reacting a 5-hydroxy-4-methoxy benzoic acid derivative with N-methyl-N-(2-[4-hydroxyphenyl]ethyl)amine, to form N-methyl-N-(2-[4-hydroxyphenyl]ethyl)-5-hydroxy-4-methoxy benzene carboxamide, which is useful as an intermediate in the synthesis of lycoremine SCINOPHARM TAIWAN LTD. (TW) 2011-07-26 US disclosed
WO-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 WO disclosed
US-20080255347-A1 Process for making galantamine SCINOPHARM TAIWAN LTD. 2008-10-16 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 (2 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 HTT 3412/4885LCK 3485/4885FYN 2884/4885
US-20080255347-A1 Process for making galantamine GALR2, GALE, GALR1 HTT 404/4885LCK 4656/4885FYN 2731/4885

“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.