SCHEMBL14908435

SCHEMBL14908435

CCCCCCCCCCCCCCCCn1c2ccccc2c2cc(I)ccc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.59
PSEN1 P49768 6/20 0.53
PSEN2 P49810 6/20 0.53
APH1B Q8WW43 6/20 0.53
NCSTN Q92542 6/20 0.53
APH1A Q96BI3 6/20 0.53
PSENEN Q9NZ42 6/20 0.53
CNR1 P21554 1/20 0.53
PGR P06401 1/20 0.50
RORA P35398 1/20 0.50
RORC P51449 1/20 0.50
RORB Q92753 1/20 0.50

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
SCHEMBL27641643 1.00 CNR2 (0.59) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL1921229 0.94 RORA (0.56) CNR2CNR1PGRRORARORC
SCHEMBL8143866 0.92 PSEN1 (0.52) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL4353679 0.92 PSEN1 (0.52) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL14893382 0.92 PSEN1 (0.52) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL4802610 0.92 MAOA (0.53) CNR2
SCHEMBL2957510 0.92 PSEN1 (0.52) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL4804298 0.92 MAOA (0.53) CNR2
SCHEMBL1921258 0.88 HPGD (0.60) CNR2CNR1PGRRORARORC
SCHEMBL9905344 0.86 PSEN1 (0.62) CNR2PSEN1PSEN2APH1BNCSTN

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-20140301937-A1 FULLERENE SEPARATION THROUGH USE OF ORGANIC CAGES NATIONAL SCIENCE FOUNDATION 2014-10-09 US disclosed
US-20140301937-A1 FULLERENE SEPARATION THROUGH USE OF ORGANIC CAGES NATIONAL SCIENCE FOUNDATION 2014-10-09 US disclosed
WO-2013063368-A1 FULLERENE SEPARATION THROUGH USE OF ORGANIC CAGES THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2013-05-02 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-20140301937-A1 FULLERENE SEPARATION THROUGH USE OF ORGANIC CAGES CYCS, NOP2, NCL CNR2 2539/4885PSEN1 3196/4885PSEN2 1951/4885

“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.