SCHEMBL2958345

SCHEMBL2958345

CCCCCC1=CCc2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ADRA2A P08913 1/20 0.36
PNMT P11086 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR7 P34969 1/20 0.33
METAP1 P53582 2/20 0.32
PTPN1 P18031 1/20 0.32
CYP1A2 P05177 3/20 0.31
CYP2D6 P10635 3/20 0.31
CYP2C19 P33261 3/20 0.31
TDP2 O95551 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 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
SCHEMBL2972942 0.98 NPC1 (0.35) SMN1; SMN2NPC1GAANFKB1RAB9A
SCHEMBL2962611 0.98 NPC1 (0.35) SMN1; SMN2NPC1GAANFKB1RAB9A
SCHEMBL2959807 0.98 NPC1 (0.35) SMN1; SMN2NPC1GAANFKB1RAB9A
SCHEMBL2964449 0.98 NPC1 (0.35) SMN1; SMN2NPC1GAANFKB1RAB9A
SCHEMBL2964016 0.98 NPC1 (0.35) SMN1; SMN2NPC1GAANFKB1RAB9A
SCHEMBL2963953 0.95 NPC1 (0.40) SMN1; SMN2NPC1GAANFKB1RAB9A
SCHEMBL2975742 0.89 PNMT (0.38) SMN1; SMN2NPC1GAANFKB1RAB9A
SCHEMBL2970229 0.88 HTR7 (0.42) SMN1; SMN2NPC1GAANFKB1RAB9A
SCHEMBL2973111 0.86 HTR7 (0.41) SMN1; SMN2NPC1GAANFKB1RAB9A
SCHEMBL2960916 0.86 HTR7 (0.41) SMN1; SMN2NPC1GAANFKB1RAB9A

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 SMN1; SMN2 4156/4885NPC1 4083/4885GAA 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.