SCHEMBL20931107

SCHEMBL20931107

CCC(C)(C)C(=O)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 2/20 0.39
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
RIPK1 Q13546 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 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
SCHEMBL14949720 0.83 TSHR (0.35) CYP2C19
SCHEMBL17577435 0.78
SCHEMBL19226498 0.76 CA1 (0.44) CA1
SCHEMBL15592557 0.76 ADRA1A (0.42) ALDH1A1TDP1CA2CYP2C19MMP1
SCHEMBL23135345 0.76 CACNA1F (0.32)
SCHEMBL14469851 0.76
SCHEMBL269050 0.76 ALDH1A1 (0.48) ALDH1A1TDP1CA2CYP2C19SMN1; SMN2
SCHEMBL17717774 0.75 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL21782763 0.75 TSHR (0.32)
SCHEMBL23717146 0.75 SMN1; SMN2 (0.46) SMN1; SMN2RIPK1

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-20190117785-A1 PAR2 MIMETIC PEPTIDES AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-04-25 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-20190117785-A1 PAR2 MIMETIC PEPTIDES AND USES THEREOF F2RL1, F2R, F2RL3 ALDH1A1 4778/4885TDP1 1768/4885CA2 3267/4885

“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.