SCHEMBL2970904

SCHEMBL2970904

Brc1cc2c(c(-c3cccc4ccccc34)c1)C=CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALPL P05186 1/20 0.36
GAA P10253 1/20 0.36
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
NISCH Q9Y2I1 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
TRPM2 O94759 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL6056141 0.81 HTR7 (0.39) KDM4EALPLGAAHTR1AHTR7
SCHEMBL28418857 0.80 HTR7 (0.38) KDM4EALPLGAAHTR1AHTR7
Lithium SCHEMBL29767605 0.80 HTR7 (0.38) KDM4EALPLGAAHTR1AHTR7
SCHEMBL2965041 0.79 MAOA (0.33) KDM4EALPLGAAHTR1AHTR7
SCHEMBL2959125 0.79 MAOA (0.33) KDM4EALPLGAAHTR1AHTR7
SCHEMBL2974323 0.78 CA12 (0.36) KDM4EALPLGAANISCHALDH1A1
SCHEMBL2960740 0.78 HTR1A (0.33) KDM4EALPLGAAHTR1AHTR7
SCHEMBL2966321 0.77 KDM4E (0.36) KDM4EALPLGAAHTR1AHTR7
SCHEMBL2973355 0.76 AKR1C3 (0.39) ALDH1A1CYP1A2ESR2MAPK1L3MBTL1
SCHEMBL2969288 0.75 KDM4E (0.35) KDM4EALPLGAAHTR1AHTR7

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 KDM4E 2177/4885ALPL 3270/4885GAA 4439/4885

“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.