SCHEMBL2970025

SCHEMBL2970025

CCCCc1ccccc1C1=CC(C)c2cc(Br)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR3 P46089 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MC4R P32245 5/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
POLB P06746 1/20 0.30
TLR8 Q9NR97 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL2968026 0.90 CYP1A2 (0.35) TP53MAPTLMNANPC1GAA
SCHEMBL2970027 0.79 NPC1 (0.43) TP53MAPTNPC1GAANFKB1
SCHEMBL2958513 0.77 BCHE (0.33) NR1H2NR1H3TSHRLIPGBCHE
SCHEMBL2972368 0.76 NR1H2 (0.33) NR1H2NR1H3LIPG
SCHEMBL2962267 0.74 MAPK1 (0.38) TP53MAPTLMNANPC1RAB9A
SCHEMBL2969378 0.73 TP53 (0.34) TP53MAPTLMNANPC1GAA
SCHEMBL2972714 0.73 CYP1A2 (0.35) NPC1GAASMN1; SMN2ALDH1A1POLB
SCHEMBL2962539 0.72 TP53 (0.35) TP53MAPTLMNANPC1GAA
SCHEMBL2966313 0.71 MAPK1 (0.33) TP53MAPTALDH1A1POLBSLC6A2
SCHEMBL2971771 0.71 CYSLTR2 (0.33) TP53MAPTLMNANR1H2NR1H3

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 TP53 4276/4885MAPT 206/4885LMNA 2058/4885

“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.