SCHEMBL2969378

SCHEMBL2969378

CCCCc1ccccc1C1=Cc2ccc(Br)cc2C1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
MC4R P32245 5/20 0.32
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
POLB P06746 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
SCHEMBL2974120 0.90 MC4R (0.32) TP53MAPTLMNAMC4RNPC1
SCHEMBL2969380 0.77 NPC1 (0.41) TP53MAPTNPC1GAANFKB1
SCHEMBL2961808 0.76 BCHE (0.33) NR1H2NR1H3LIPG
SCHEMBL2962624 0.76 NR1H2 (0.34) NR1H2NR1H3LIPG
SCHEMBL2960245 0.74 CYP1A2 (0.34) TP53MAPTNPC1GAANFKB1
SCHEMBL2970025 0.73 TP53 (0.35) TP53MAPTLMNAMC4RNPC1
SCHEMBL2961224 0.73 TP53 (0.35) TP53MAPTLMNALIPGPOLB
SCHEMBL2975438 0.72 ALDH1A1 (0.36) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2972913 0.72 MAPK1 (0.32) TP53MAPTALDH1A1POLB
SCHEMBL2968026 0.71 CYP1A2 (0.35) TP53MAPTLMNAMC4RNPC1

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-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
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO 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.