SCHEMBL13819519

SCHEMBL13819519

CCN[C@@H](Cc1cc(I)c(OCC)c(I)c1)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 6/20 0.40
▸ THRA P10827 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TTR P02766 2/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ PPARG P37231 2/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL1525929 0.85 THRB (0.57) THRBTHRAMEN1KMT2ALMNA
SCHEMBL12642755 0.84 THRB (0.48) THRBTHRAMEN1KMT2ALMNA
SCHEMBL13819522 0.84 THRB (0.51) THRBTHRALMNA
SCHEMBL13819523 0.83 MEN1 (0.41) MEN1KMT2APPARGALDH1A1NR1I2
SCHEMBL1526075 0.83 THRB (0.47) THRBTHRAMEN1KMT2ALMNA
SCHEMBL12844093 0.82 THRB (0.47) THRBTHRAMEN1KMT2ALMNA
SCHEMBL19696722 0.81 THRB (0.46) THRBTHRAMEN1KMT2ALMNA
SCHEMBL1526086 0.80 THRB (0.44) THRBTHRAMEN1KMT2ALMNA
SCHEMBL13952482 0.79 THRB (0.43) THRBTHRAMEN1KMT2ALMNA
SCHEMBL2619545 0.76 GAA (0.51) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664426-B2 Functionalized amino acids and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2014-03-04 — — US disclosed
US-8519175-B2 Functionalized amino acids and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2013-08-27 — — US disclosed
US-20130030061-A1 FUNCTIONALIZED AMINO ACIDS AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2013-01-31 — — US disclosed
US-8309754-B2 Functionalized amino acids and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2012-11-13 — — 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 (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-20130030061-A1 FUNCTIONALIZED AMINO ACIDS AND ABSORBABLE POLYMERS THEREFROM BCAT2, BCAT1, SLC7A1 THRB 3777/4885THRA 2264/4885MEN1 2243/4885

“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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