SCHEMBL13913080

SCHEMBL13913080

C#CCN(CC#C)C(=O)CC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
PYCR1 P32322 1/20 0.32
LMNA P02545 1/20 0.32
FDPS P14324 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL22858694 0.91 LMNA (0.39) ALDH1A1KDM4EHPGDPYCR1LMNA
SCHEMBL14927150 0.87 CA12 (0.40) ALDH1A1KDM4EHPGDTDP1
SCHEMBL14303919 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11726630 0.78
SCHEMBL11687445 0.75 DPP4 (0.46) ALDH1A1LMNADPP4
SCHEMBL18746575 0.75 LMNA (0.42) ALDH1A1LMNA
Allidochlor SCHEMBL4273793 0.75 NPC1 (0.35) ALDH1A1TDP1
SCHEMBL7200816 0.74 PYCR1 (0.38) ALDH1A1KDM4EHPGDPYCR1DPP4
SCHEMBL5710568 0.73
SCHEMBL12073330 0.73

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-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS THE SCRIPPS RESEARCH INSTITUTE (US) 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-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS CROCC, JAK3, APOBEC3A ALDH1A1 2522/4885KDM4E 3319/4885HPGD 4219/4885

“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.