SCHEMBL2963687

SCHEMBL2963687

CC1=CCc2c1ccc(Br)c2-c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
BRD4 O60885 1/20 0.35
GSK3B P49841 1/20 0.35
ADK P55263 1/20 0.35
DNMT1 P26358 1/20 0.34
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GPR55 Q9Y2T6 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
FPR1 P21462 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2965297 0.89 CA12 (0.38) DHFRCA12CA1CA2CA9
SCHEMBL2973175 0.83 ALDH1A1 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL2975588 0.83 CA12 (0.38) DHFRCA12CA1CA2CA9
SCHEMBL2963790 0.82 CA12 (0.36) DHFRCA12CA1CA2CA9
SCHEMBL2965691 0.80 DHFR (0.38) DHFRCA12CA1CA2CA9
SCHEMBL2973805 0.79 TDP2 (0.30)
SCHEMBL2962692 0.77 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL2975044 0.76 CA12 (0.38) CA12CA1CA2CA9BRD4
SCHEMBL2960703 0.76 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HTTHTR7MEN1
SCHEMBL2965015 0.75 CA12 (0.36) DHFRCA12CA1CA2CA9

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 DHFR 3591/4885CA12 3150/4885CA1 3194/4885

“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.