SCHEMBL13033103

SCHEMBL13033103

COCCCCNCCCCCCCCCCCC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 6/20 0.61
ALDH1A1 P00352 4/20 0.53
TSHR P16473 1/20 0.44
KDM4E B2RXH2 8/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37

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
SCHEMBL13033162 1.00 PAOX (0.61) PAOXALDH1A1TSHRKDM4EGAA
SCHEMBL13033093 1.00 PAOX (0.61) PAOXALDH1A1TSHRKDM4EGAA
SCHEMBL13033102 1.00 PAOX (0.61) PAOXALDH1A1TSHRKDM4EGAA
SCHEMBL13033097 1.00 PAOX (0.61) PAOXALDH1A1TSHRKDM4EGAA
SCHEMBL13033090 0.98 PAOX (0.58) PAOXALDH1A1TSHRKDM4EGAA
SCHEMBL13033088 0.94 PAOX (0.53) PAOXALDH1A1TSHRKDM4EGAA
SCHEMBL13033089 0.90 PAOX (0.48) PAOXALDH1A1TSHRKDM4EGAA
SCHEMBL2751863 0.88 ALDH1A1 (0.67) PAOXALDH1A1TSHRGAALMNA
SCHEMBL8105099 0.88 ALDH1A1 (0.67) PAOXALDH1A1TSHRGAALMNA
SCHEMBL8464714 0.88 ALDH1A1 (0.67) PAOXALDH1A1TSHRGAALMNA

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-20100286035-A1 NEUROMEDIN U DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 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-20100286035-A1 NEUROMEDIN U DERIVATIVE NMUR1, NMUR2, NMBR PAOX 1883/4885ALDH1A1 3894/4885TSHR 3480/4885

“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.