SCHEMBL660608

SCHEMBL660608

COc1cc(Br)c(C(C)=O)cc1OC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59
HTT P42858 1/20 0.51
CYP3A4 P08684 3/20 0.43
APAF1 O14727 1/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
CASP3 P42574 1/20 0.42
PPP1CA P62136 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
PRKDC P78527 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL31081166 1.00 LCK (0.59) LCKFYNHTTCYP3A4APAF1
SCHEMBL7112806 0.89 LCK (0.71) LCKFYNHTTCYP3A4APAF1
SCHEMBL28786056 0.89 LCK (0.77) LCKFYNHTTAPAF1TDP2
SCHEMBL661435 0.83 HTT (0.51) LCKFYNHTTCYP3A4MAPT
SCHEMBL10102096 0.81 LCK (0.40) LCKFYNHTTCYP3A4MAPT
SCHEMBL14042389 0.80 HTT (0.51) LCKFYNHTTCYP3A4MAPT
SCHEMBL12072023 0.77 HTT (0.61) LCKFYNHTTCYP3A4MAPT
SCHEMBL21102196 0.77 LCK (0.65) LCKFYNHTTCYP3A4APAF1
SCHEMBL16181220 0.77 LCK (0.55) LCKFYNHTTCYP3A4APAF1
SCHEMBL661672 0.77 HTT (0.56) LCKFYNHTTCYP3A4MAPT

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 LCK 3485/4885FYN 2884/4885HTT 3412/4885

“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.