SCHEMBL2040993

SCHEMBL2040993

CCCCCCCOc1cc(C=O)c(OCCCCCCC)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
PRKDC P78527 1/20 0.45
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
POLB P06746 1/20 0.41
PTPN1 P18031 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMPD1 P17405 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38

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
SCHEMBL2038528 1.00 LMNA (0.53) LMNAPRKDCTHRATHRBS1PR3
SCHEMBL2037034 1.00 LMNA (0.53) LMNAPRKDCTHRATHRBS1PR3
SCHEMBL2037716 0.98 LMNA (0.54) LMNAPRKDCTHRATHRBS1PR3
SCHEMBL2037945 0.94 LMNA (0.56) LMNAPRKDCTHRATHRBPOLB
SCHEMBL30584237 0.92 PTPN1 (0.47) LMNAPRKDCTHRATHRBS1PR3
SCHEMBL29246741 0.92 PTPN1 (0.47) LMNAPRKDCTHRATHRBS1PR3
SCHEMBL31078471 0.90 LMNA (0.44) LMNAS1PR3KDM4EMEN1GAA
SCHEMBL18901651 0.90 LMNA (0.44) LMNAS1PR3KDM4EMEN1GAA
SCHEMBL278733 0.90 LMNA (0.44) LMNAS1PR3KDM4EMEN1GAA
SCHEMBL26103495 0.90 LMNA (0.44) LMNAS1PR3KDM4EMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8525131-B2 Phosphorescent organic compounds THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-09-03 US claimed
US-20120248337-A1 PHOSPHORESCENT ORGANIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US claimed
WO-2011066415-A2 PHOSPHORESCENT ORGANIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-06-03 WO claimed

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-20120248337-A1 PHOSPHORESCENT ORGANIC COMPOUNDS PAICS, PPIP5K2, PPA1 LMNA 3394/4885PRKDC 2103/4885THRA 3970/4885

“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.