SCHEMBL18388293

SCHEMBL18388293

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL18924713 0.85 CA2 (0.41) CA2CA1USP2TSHRMAPK1
SCHEMBL13448612 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6893921 0.84 CA2 (0.38) CA2CA1USP2TSHRMAPK1
SCHEMBL10875904 0.79 CA2 (0.38) CA2CA1USP2TSHRMAPK1
SCHEMBL14991049 0.78 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL684789 0.78 TSHR (0.43) CA2CA1USP2TSHRMAPK1
SCHEMBL18856283 0.77 SMN1; SMN2 (0.36) CA2CA1TSHRALDH1A1
SCHEMBL4450340 0.76 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL7223633 0.76 MAPT (0.42) CA2CA1USP2TSHRMAPK1
SCHEMBL6789651 0.76 TSHR (0.48) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 US disclosed
US-20170015659-A1 Prodrugs of NH-Acidic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-01-19 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-20170015659-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 CA2 205/4885CA1 377/4885USP2 678/4885

“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.