SCHEMBL21555532

SCHEMBL21555532

CCCC(=O)OC1CCC(C)(C(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.45
ALDH1A1 P00352 2/20 0.35
NLRP3 Q96P20 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP19A1 P11511 2/20 0.33
TSHR P16473 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL19088342 0.87 NAAA (0.37) NAAACYP2C19CYP19A1TSHRTP53
SCHEMBL16837528 0.85 NAAA (0.46) NAAAALDH1A1NLRP3CYP2C19CYP19A1
SCHEMBL8059341 0.83 NAAA (0.50) NAAAALDH1A1NLRP3CYP2C19CYP19A1
SCHEMBL28869002 0.81 NAAA (0.49) NAAAALDH1A1NLRP3CYP2C19CYP19A1
SCHEMBL18827874 0.80 NAAA (0.42) NAAAALDH1A1NLRP3CYP2C19TSHR
SCHEMBL8690677 0.78
SCHEMBL1695592 0.75 NAAA (0.72) NAAAALDH1A1CYP2C19CYP19A1TSHR
SCHEMBL2433610 0.75 NAAA (0.67) NAAAALDH1A1CYP2C19CYP19A1TSHR
SCHEMBL21765705 0.75 NAAA (0.49) NAAAALDH1A1CYP2C19CYP19A1TSHR
SCHEMBL10929265 0.73 NAAA (0.55) NAAAALDH1A1CYP2C19CYP19A1TSHR

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-10472392-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-11-12 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-10472392-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS NAAA 2162/4885ALDH1A1 1076/4885NLRP3 1737/4885

“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.