SCHEMBL2970909

SCHEMBL2970909

Brc1ccc2cccc(C3C=Cc4ccccc43)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
CYP1A2 P05177 3/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
HTT P42858 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
SCHEMBL2971061 0.88 CYP2A6 (0.39) CYP2A6CYP1A2MAPK1MEN1KMT2A
SCHEMBL2966546 0.87 CYP2A6 (0.33) CYP2A6CYP1A2MAPK1
SCHEMBL2971252 0.86 KDM1A (0.37) CYP2A6CYP1A2MAPK1CYP2C19ALDH1A1
SCHEMBL2970913 0.85 KDM1A (0.36) CYP2A6CYP1A2MAPK1CYP2C19ALDH1A1
SCHEMBL2969291 0.83 CYP2A6 (0.33) CYP2A6CYP1A2MAPK1
SCHEMBL1025256 0.82 KDM1A (0.43) CYP2A6CYP1A2MAPK1ALDH1A1HPGD
SCHEMBL2959346 0.81 POLB (0.41) CYP2A6CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL2970663 0.81 CYP1A2 (0.31) CYP1A2MAPK1
SCHEMBL2965051 0.81 CYP1A2 (0.32) CYP1A2MAPK1ALDH1A1HPGD
SCHEMBL4282479 0.81 ALDH1A1 (0.35) CYP1A2ALDH1A1SMN1; SMN2MEN1KMT2A

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 CYP2A6 2465/4885CYP1A2 2409/4885MAPK1 3118/4885

“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.