SCHEMBL2968237

SCHEMBL2968237

CCCCCCC1=CCc2cccc(Br)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A2 P23975 2/20 0.34
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
PTPN1 P18031 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
RECQL P46063 1/20 0.33
CNR1 P21554 1/20 0.32
LIPG Q9Y5X9 2/20 0.32
LPL P06858 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 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
SCHEMBL2972108 1.00 KCNH2 (0.38) KCNH2CYP2D6ALDH1A1CYP1A2CYP2C19
SCHEMBL2966482 1.00 KCNH2 (0.38) KCNH2CYP2D6ALDH1A1CYP1A2CYP2C19
SCHEMBL2974667 1.00 KCNH2 (0.38) KCNH2CYP2D6ALDH1A1CYP1A2CYP2C19
SCHEMBL2963505 1.00 KCNH2 (0.38) KCNH2CYP2D6ALDH1A1CYP1A2CYP2C19
SCHEMBL2971599 0.98 KCNH2 (0.35) KCNH2CYP2D6ALDH1A1CYP1A2CYP2C19
SCHEMBL2966513 0.94 GRM2 (0.31)
SCHEMBL2966620 0.87 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2970449 0.80 GABRA1 (0.33)
SCHEMBL2972158 0.76 PTPN1 (0.40) KCNH2PTPN1GPR84RECQLCNR1
SCHEMBL2974062 0.76 PTPN1 (0.40) KCNH2PTPN1GPR84RECQLCNR1

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 KCNH2 3320/4885CYP2D6 2519/4885ALDH1A1 4332/4885

“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.