SCHEMBL660858

SCHEMBL660858

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
CYP3A4 P08684 6/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 3/20 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 3/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.41
APP P05067 2/20 0.41
HMGCR P04035 1/20 0.40

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
SCHEMBL31175997 0.82 HTT (0.81) HTTCYP3A4HPGDMAPTLMNA
SCHEMBL14780513 0.82 HTT (0.81) HTTCYP3A4HPGDMAPTLMNA
SCHEMBL24497291 0.82 HTT (0.62) HTTCYP3A4HPGDMAPTLMNA
SCHEMBL14042077 0.81 CYP3A4 (0.39) HTTCYP3A4HPGDMAPTLMNA
SCHEMBL22595755 0.81 HTT (0.47) HTTCYP3A4HPGDMAPTLMNA
SCHEMBL661672 0.81 HTT (0.56) HTTCYP3A4HPGDMAPTLMNA
SCHEMBL661050 0.81 HMGCR (0.60) HTTCYP3A4HPGDMAPTLMNA
SCHEMBL28930588 0.79 HTT (0.58) HTTCYP3A4HPGDMAPTLMNA
SCHEMBL1545430 0.79 HTT (0.81) HTTCYP3A4HPGDMAPTLMNA
SCHEMBL22991357 0.78 MEN1 (0.42) HTTCYP3A4HPGDMAPTKDM4E

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 6 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
WO-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 WO disclosed
WO-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 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 (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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 HTT 3412/4885CYP3A4 500/4885HPGD 158/4885

“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.