SCHEMBL4229900

SCHEMBL4229900

CCCCCC#CC(=O)OCCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
PTPN7 P35236 5/20 0.44
HMGCR P04035 2/20 0.44
EPHX1 P07099 1/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.42
RECQL P46063 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL29248381 0.94 PTPN7 (0.47) NAAAPTPN7HMGCREPHX1TSHR
SCHEMBL8163468 0.90 ALDH1A1 (0.48) NAAAPTPN7HMGCREPHX1CA12
SCHEMBL9747460 0.88 TSHR (0.45) NAAAPTPN7HMGCREPHX1CA12
SCHEMBL31317635 0.86 HMGCR (0.39) NAAAPTPN7HMGCREPHX1TSHR
SCHEMBL8847165 0.86 NAAA (0.48) NAAAEPHX1CA12CA1CA2
SCHEMBL14720361 0.86 ALDH1A1 (0.48) NAAAEPHX1CA12CA1CA2
SCHEMBL1089589 0.86 PTPN7 (0.46) NAAAPTPN7HMGCRALDH1A1RECQL
SCHEMBL9746625 0.86 TSHR (0.41) NAAAPTPN7HMGCREPHX1CA12
SCHEMBL2531258 0.86 NAAA (0.56) NAAAEPHX1CA12CA1CA2
SCHEMBL11694847 0.85 NAAA (0.39) NAAAPTPN7HMGCREPHX1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2009-03-12 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-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES PF4, AFF4, FLI1 NAAA 3381/4885PTPN7 2185/4885HMGCR 4771/4885

“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.