SCHEMBL2965191

SCHEMBL2965191

Brc1cccc2c1C=C(c1cccc3ccccc13)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.38
PTPN1 P18031 1/20 0.34
HTR7 P34969 3/20 0.33
HTR1A P08908 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PTGS2 P35354 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALPL P05186 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 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
SCHEMBL6055968 0.82 SLC6A3 (0.37) SLC6A3PTPN1HTR7HTR1ANISCH
SCHEMBL6287678 0.77 PTGS2 (0.54) SLC6A3PTPN1HTR7HTR1ANISCH
SCHEMBL2971419 0.75 SLC6A3 (0.38) SLC6A3PTPN1HTR7HTR1ANISCH
SCHEMBL2962171 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6056135 0.74 HTR7 (0.38) SLC6A3PTPN1HTR7HTR1ANISCH
SCHEMBL28324752 0.73 PTGS2 (0.43) SLC6A3PTPN1HTR7HTR1ANISCH
SCHEMBL2958353 0.73 TRPA1 (0.39) SLC6A3PTPN1NISCHCA1CA2
SCHEMBL2966220 0.73 CA1 (0.38) SLC6A3PTPN1NISCHCA1CA2
SCHEMBL7094851 0.71 KDM4E (0.41) SLC6A3PTPN1NISCHKDM4EGAA
SCHEMBL29634644 0.69 ALDH1A1 (0.46) PTPN1CA12CA1CA2CA9

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 SLC6A3 2954/4885PTPN1 4091/4885HTR7 2417/4885

“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.