SCHEMBL2963822

SCHEMBL2963822

CC1C=Cc2cc(Br)c(-c3cccc4ccccc34)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.33
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA9 Q16790 5/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALPL P05186 1/20 0.32
GAA P10253 1/20 0.32
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
AKR1C3 P42330 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
SCHEMBL2970854 0.94 CA12 (0.33) CA12CA1CA2CA9MAPT
SCHEMBL2963655 0.82 ALDH1A1 (0.33) MAOAMAOBALDH1A1
SCHEMBL2972474 0.80 MAOA (0.32) MAOAMAOB
SCHEMBL2973633 0.79 ALDH1A1 (0.37) MAOBALDH1A1
SCHEMBL2975307 0.76 TRPM2 (0.36) CA12CA1CA2CA9MAPT
SCHEMBL1776407 0.76 HKDC1 (0.46) CA12CA1CA2CA9KDM4E
SCHEMBL2973456 0.75 MAPT (0.33) CA12CA1CA2CA9MAPT
SCHEMBL2965212 0.75 CHRNA1 (0.36) CA12CA1CA2CA9MAPT
SCHEMBL2972298 0.75 CYSLTR2 (0.31)
SCHEMBL2963873 0.74 DHFR (0.35) CA12CA1CA2CA9MAPT

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 CA12 3150/4885CA1 3194/4885CA2 3440/4885

“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.