SCHEMBL2972021

SCHEMBL2972021

CC1=C(c2ccccc2)c2cccc(Br)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 2/20 0.44
PIM1 P11309 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CDK5 Q00535 1/20 0.35
ROCK1 Q13464 1/20 0.35
DYRK1A Q13627 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
ANPEP P15144 2/20 0.33
IL1RN P18510 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL2969601 0.88 NPC1 (0.40) ALDH1A1MAPK1PIM1CSNK1A1CDK5
SCHEMBL2963720 0.79 ALDH1A1 (0.36) ALDH1A1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2971540 0.78 HSD11B1 (0.39) ALDH1A1MAPK1MAPTRAB9ASMN1; SMN2
SCHEMBL2970592 0.78 HTR7 (0.33) ALDH1A1MAPK1MAPTRAB9ASMN1; SMN2
SCHEMBL2973423 0.78 ALDH1A1 (0.36) ALDH1A1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2973226 0.76 PIM1 (0.40) ALDH1A1MAPK1PIM1CSNK1A1CDK5
SCHEMBL2966003 0.76 PIM1 (0.33) ALDH1A1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2971538 0.73 BCHE (0.33) NR1H2NR1H3
SCHEMBL2969356 0.72 FABP4 (0.36) ALDH1A1MAPK1
SCHEMBL11546612 0.72 MAOA (0.40) ALDH1A1MAPTNPSR1HTTMITF

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 3118/4885PIM1 4466/4885

“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.