SCHEMBL20697403

SCHEMBL20697403

CC(C)CC(O)CC(=O)OC(C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
PRKCA P17252 1/20 0.33
CYP19A1 P11511 1/20 0.31
KISS1R Q969F8 2/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
RNPEP Q9H4A4 1/20 0.30
SLC7A5 Q01650 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11138709 0.82 MMP1 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6895534 0.81 MMP1 (0.59) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6899594 0.81 MMP1 (0.59) MMP1MMP2MMP3MMP9MMP13
SCHEMBL12136577 0.77 TSHR (0.40) MMP1KISS1RCACNA2D1CACNB3CACNA1C
SCHEMBL29309521 0.73 TSHR (0.37) MMP1KISS1R
Hydrochloric Acid SCHEMBL28201851 0.73 SLC7A5 (0.35) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2906592 0.73 MGAM (0.44) ALDH1A1TDP1
SCHEMBL2912543 0.73 MGAM (0.44) ALDH1A1TDP1
SCHEMBL2912840 0.73 MGAM (0.44) ALDH1A1TDP1
SCHEMBL12526890 0.71 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP13

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-10428058-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2019-10-01 US disclosed
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-19 US disclosed
US-20190031648-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2019-01-31 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 (3 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-20190031648-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 MMP1 551/4885MMP2 1550/4885MMP3 1775/4885
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 MMP1 551/4885MMP2 1550/4885MMP3 1775/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 MMP1 551/4885MMP2 1550/4885MMP3 1775/4885

“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.