SCHEMBL18180584

SCHEMBL18180584

CCOC(=O)[C@H](NC(=O)OC)[C@H]1CCO[C@H](CC)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL16795490 0.87 HTT (0.32) HTTMEN1KMT2AHPGD
SCHEMBL16795471 0.87 HTT (0.32) HTTMEN1KMT2AHPGD
SCHEMBL18180590 0.87 HTT (0.32) HTTMEN1KMT2AHPGD
SCHEMBL12139932 0.86 TRPM8 (0.34) SMYD3ALDH1A1TRPM8L3MBTL1
SCHEMBL10210966 0.86 TRPM8 (0.34) SMYD3ALDH1A1TRPM8L3MBTL1
SCHEMBL14950802 0.84 L3MBTL1 (0.33) SMYD3ALDH1A1TRPM8L3MBTL1
SCHEMBL18467491 0.84 L3MBTL1 (0.33) SMYD3ALDH1A1TRPM8L3MBTL1
SCHEMBL18467490 0.84 L3MBTL1 (0.33) SMYD3ALDH1A1TRPM8L3MBTL1
SCHEMBL18467489 0.84 L3MBTL1 (0.33) SMYD3ALDH1A1TRPM8L3MBTL1
SCHEMBL14950801 0.84 L3MBTL1 (0.33) SMYD3ALDH1A1TRPM8L3MBTL1

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-20160311806-A1 4,4'-BIPHENYLDIYL-BIS-(1 H-IMIDAZOLYL) DERIVATIVES AS HEPATITIS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-27 — — 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-20160311806-A1 4,4'-BIPHENYLDIYL-BIS-(1 H-IMIDAZOLYL) DERIVATIVES AS HEPATITIS HCV INHIBITORS HAVCR2, FABP1, PYGL HTT 4452/4885MEN1 4872/4885KMT2A 4298/4885

“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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