SCHEMBL2965679

SCHEMBL2965679

Brc1ccc2c(c1-c1ccccc1)[CH]c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
THRB P10828 1/20 0.31
XBP1 P17861 1/20 0.31
PTBP1 P26599 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 1/20 0.31
SMAD3 P84022 1/20 0.31

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
SCHEMBL2972519 0.88 NPC1 (0.39) ALDH1A1MAPK1MAPTHTTL3MBTL1
SCHEMBL1539778 0.83 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTHTTHSD17B10
SCHEMBL2974304 0.79 ALDH1A1 (0.38) ALDH1A1MAPK1MEN1KMT2AHSD17B10
SCHEMBL217878 0.79 ALDH1A1 (0.36) ALDH1A1MAPK1MAPTHTTL3MBTL1
SCHEMBL2958347 0.77 ALDH1A1 (0.32) ALDH1A1MAPK1MAPTHTTL3MBTL1
SCHEMBL217599 0.75 L3MBTL1 (0.32) ALDH1A1MAPK1MAPTHTTL3MBTL1
SCHEMBL4723230 0.75 ALDH1A1 (0.43) ALDH1A1MAPK1MAPTL3MBTL1MEN1
SCHEMBL1029673 0.73 ALDH1A1 (0.41) ALDH1A1MAPK1MAPTHTTL3MBTL1
SCHEMBL216861 0.72 ALDH1A1 (0.44) ALDH1A1MAPK1HSD17B10
SCHEMBL2975954 0.72 ALDH1A1 (0.39) ALDH1A1MAPK1MAPTHTTL3MBTL1

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-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 ALDH1A1 4332/4885MAPK1 3118/4885MAPT 206/4885

“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.