SCHEMBL13098366

SCHEMBL13098366

CCCCCCOc1ccc(C2(c3ccc(OCCCCCC)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.55
LTA4H P09960 4/20 0.53
NR5A1 Q13285 1/20 0.50
PTPN11 Q06124 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
OPRK1 P41145 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL27831281 0.93 NR5A1 (0.63) PDK2LTA4HNR5A1PTPN11TP53
SCHEMBL17445910 0.93 PDK2 (0.50) PDK2LTA4HNR5A1MEN1KMT2A
SCHEMBL17445908 0.93 PDK2 (0.50) PDK2LTA4HNR5A1MEN1KMT2A
SCHEMBL12228055 0.89 PDK2 (0.52) PDK2LTA4HTSHRMEN1KMT2A
SCHEMBL17050179 0.89 PDK2 (0.52) PDK2LTA4HTSHRMEN1KMT2A
SCHEMBL28463849 0.88 PDK2 (0.46) PDK2LTA4HTP53TSHRCYP2C9
SCHEMBL28471347 0.87 PDK2 (0.45) PDK2LTA4HNR5A1CYP2C9CYP2C19
SCHEMBL28262297 0.85 PDK2 (0.60) PDK2LTA4HNR5A1PTPN11TP53
SCHEMBL1305002 0.85 PDK2 (0.60) PDK2LTA4HNR5A1PTPN11TP53
SCHEMBL16902914 0.85 NR5A1 (0.50) PDK2LTA4HNR5A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100270537-A1 OPTOELECTRONIC DEVICES AND ORGANIC COMPOUNDS USED THEREIN GENERAL ELECTRIC COMPANY (US) 2010-10-28 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-20100270537-A1 OPTOELECTRONIC DEVICES AND ORGANIC COMPOUNDS USED THEREIN AOC3, C3AR1, AOC2 PDK2 1752/4885LTA4H 950/4885NR5A1 778/4885

“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.