SCHEMBL21050301

SCHEMBL21050301

O=C(O)C(CC=CCO)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OR51E2 Q9H255 1/20 0.35
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ GRIK1 P39086 5/20 0.33
▸ GRIK2 Q13002 5/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ALOX15 P16050 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
SCHEMBL21050298 1.00 OR51E2 (0.35) OR51E2FNTAFNTBGRIK1GRIK2
SCHEMBL3910421 0.87 FNTA (0.39) OR51E2FNTAFNTBGRIK1GRIK2
SCHEMBL3910423 0.87 FNTA (0.39) OR51E2FNTAFNTBGRIK1GRIK2
SCHEMBL20553183 0.81 OR51E2 (0.31) OR51E2GRIK1GRIK2ALDH1A1
SCHEMBL25661477 0.79 GRIK1 (0.46) GRIK1GRIK2ALOX15
Bicarbonate SCHEMBL575069 0.77 CA1 (0.42) OR51E2ALDH1A1CYP2D6ALOX15
SCHEMBL11652706 0.77 TP53 (0.40) OR51E2
SCHEMBL10457604 0.74 GRIK1 (0.55) FNTAFNTBGRIK1GRIK2ALDH1A1
SCHEMBL4891724 0.74 GRIK1 (0.55) FNTAFNTBGRIK1GRIK2ALDH1A1
SCHEMBL4891721 0.74 GRIK1 (0.55) FNTAFNTBGRIK1GRIK2ALDH1A1

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-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2021-06-22 — — US disclosed
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-13 — — 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 (2 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-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors SAMHD1, POLRMT, RNGTT OR51E2 3701/4885FNTA 1259/4885FNTB 504/4885
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SAMHD1, POLRMT, RNGTT OR51E2 3701/4885FNTA 1259/4885FNTB 504/4885

“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.

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