SCHEMBL2963726

SCHEMBL2963726

CC1=Cc2cccc(Br)c2C1c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
SLC6A4 P31645 5/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CYP2A6 P11509 2/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM1A O60341 3/20 0.32
RCOR1 Q9UKL0 2/20 0.32
MAOB P27338 1/20 0.32
EGFR P00533 2/20 0.32
ERBB2 P04626 2/20 0.32
ERBB3 P21860 2/20 0.32
KDR P35968 2/20 0.32
PTK2 Q05397 2/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
DRD2 P14416 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
SCHEMBL2958035 0.82 MEN1 (0.37) KDM4E
SCHEMBL2972357 0.82 ALDH1A1 (0.33) KDM4E
SCHEMBL2969603 0.81 PBRM1 (0.39) KDM4ESLC6A4SLC6A3HTR2CHTR2B
SCHEMBL6662143 0.77 CYP2A6 (0.38) KDM4ESLC6A4SLC6A2SLC6A3CYP2A6
SCHEMBL2970237 0.77 CYP2A6 (0.44) KDM4ESLC6A4SLC6A2SLC6A3CYP2A6
SCHEMBL2963229 0.77 KDM4E (0.36) KDM4ESLC6A4SLC6A2SLC6A3CYP2A6
SCHEMBL2962492 0.75 KDM1A (0.38) KDM4ESLC6A4SLC6A2SLC6A3CYP2A6
SCHEMBL2963351 0.74 CYP2A6 (0.44) KDM4ESLC6A4SLC6A2SLC6A3CYP2A6
SCHEMBL2958036 0.73 ALDH1A1 (0.39) HTR2CHTR2BKDM1A
SCHEMBL2974273 0.73 RAPGEF4 (0.32)

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 KDM4E 2177/4885SLC6A4 2785/4885SLC6A2 4215/4885

“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.