SCHEMBL17017540

SCHEMBL17017540

CCNC(=O)C(C)Cc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ ACE P12821 2/20 0.49
▸ MME P08473 1/20 0.49
▸ CPA1 P15085 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.49
▸ TAAR1 Q96RJ0 3/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ FOLH1 Q04609 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ESR1 P03372 3/20 0.46
▸ ESR2 Q92731 3/20 0.46

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
SCHEMBL462973 0.85 CYP3A4 (0.50) CYP3A4TSHRACEGAAMAPT
SCHEMBL13889057 0.85 CYP3A4 (0.50) CYP3A4TSHRACEMMECPA1
SCHEMBL25000565 0.84 CYP3A4 (0.71) CYP3A4TSHRACEMMECPA1
SCHEMBL13889047 0.84 CYP3A4 (0.71) CYP3A4TSHRACEMMECPA1
SCHEMBL16158118 0.84 CYP3A4 (0.71) CYP3A4TSHRACEMMECPA1
SCHEMBL15314125 0.82 GAA (0.53) CYP3A4TSHRACEMMECPA1
SCHEMBL22403191 0.82 GAA (0.53) CYP3A4TSHRACEMMECPA1
SCHEMBL4324321 0.82 CYP3A4 (0.55) CYP3A4TSHRTAAR1SLC6A2GAA
SCHEMBL19728217 0.82 GRIA1 (0.56) —
SCHEMBL13821889 0.81 ACE (0.48) ACEMMECPA1ACE2GAA

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-20150231268-A1 HYALURONIC ACID DERIVATIVE HAVING AMINO ACID AND STERYL GROUP INTRODUCED THEREINTO CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-20 — — 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-20150231268-A1 HYALURONIC ACID DERIVATIVE HAVING AMINO ACID AND STERYL GROUP INTRODUCED THEREINTO CD44, DAO, FUT6 CYP3A4 3188/4885TSHR 1711/4885ACE 4126/4885

“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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