SCHEMBL12634945

SCHEMBL12634945

CCCCCOc1ccc(C2(c3ccccc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1OCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
PTPN11 Q06124 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PDK2 Q15119 2/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
PTPN1 P18031 1/20 0.36
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL12634952 0.88 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1CYSLTR2CYSLTR1PTPN11
SCHEMBL14447542 0.87 PDK2 (0.38) SMN1; SMN2NPSR1CYSLTR2CYSLTR1PTPN11
SCHEMBL4552932 0.86 PDK2 (0.47) PTPN11PDK2PTPN1MAPTTP53
SCHEMBL12635003 0.85 PTPN11 (0.41) SMN1; SMN2NPSR1CYSLTR2CYSLTR1PTPN11
SCHEMBL27768235 0.83 CYSLTR2 (0.40) SMN1; SMN2NPSR1CYSLTR2CYSLTR1PTPN11
SCHEMBL12634943 0.81 MAPT (0.36) SMN1; SMN2NPSR1CYSLTR2CYSLTR1PTPN11
SCHEMBL988298 0.80 PDK2 (0.45) PTPN11PDK2LMNANPC1RAB9A
SCHEMBL4579086 0.80 PDK2 (0.45) PTPN11PDK2LMNANPC1RAB9A
SCHEMBL12634982 0.80 LPL (0.41) NPSR1CYSLTR2CYSLTR1PTPN11MEN1
SCHEMBL3360791 0.79 PDK2 (0.44) SMN1; SMN2NPSR1CYSLTR2CYSLTR1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939155-B2 Organic opto-electronic polymer and use thereof ETERNAL CHEMICAL CO., LTD. (CN) 2011-05-10 US disclosed
US-20070167614-A1 Organic opto-electronic polymer and use thereof ETERNAL CHEMICAL CO., LTD. 2007-07-19 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-20070167614-A1 Organic opto-electronic polymer and use thereof PPOX, CYBA, OGFOD1 SMN1; SMN2 3195/4885NPSR1 3265/4885CYSLTR2 1818/4885

“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.