SCHEMBL13017121

SCHEMBL13017121

CC(C)Cc1ccc(-c2ccccc2OCC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ SCN9A Q15858 2/20 0.46
▸ DRD1 P21728 6/20 0.40
▸ UGCG Q16739 1/20 0.39
▸ MME P08473 2/20 0.39
▸ AR P10275 2/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ ADRB2 P07550 1/20 0.37

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
SCHEMBL15060597 0.84 SCN9A (0.49) ALOX5APFEN1SCN9ADRD1UGCG
SCHEMBL13017143 0.82 ALOX5AP (0.45) ALOX5APFEN1S1PR1SCN9AUGCG
SCHEMBL25146394 0.79 S1PR1 (0.64) S1PR1MME
SCHEMBL9069797 0.77 ALOX5AP (0.55) ALOX5APFEN1SCN9ADRD1UGCG
SCHEMBL13017118 0.77 PPARG (0.52) ALOX5APS1PR1MMEAR
SCHEMBL24180148 0.75 SLC6A2 (0.51) ALOX5APFEN1ADRA1DADRA1AADRA1B
SCHEMBL13017076 0.75 CYP17A1 (0.46) —
SCHEMBL237800 0.74 PPARA (0.47) S1PR1MME
SCHEMBL237801 0.72 PPARA (0.49) S1PR1MME
SCHEMBL13160935 0.72 ALDH1A1 (0.39) ADRA1DADRA1AADRA1B

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-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 — — US disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 — — US disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 — — 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-20100331358-A1 TETRAHYDROFUROPYRIDONES HIF1AN, EGLN3, HIF1A ALOX5AP 1075/4885FEN1 4018/4885S1PR1 1407/4885

“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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