SCHEMBL4310917

SCHEMBL4310917

N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)OI

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 11/20 0.76
▸ MEN1 O00255 7/20 0.76
▸ KMT2A Q03164 7/20 0.76
▸ THRA P10827 7/20 0.76
▸ LMNA P02545 5/20 0.76
▸ PPARG P37231 5/20 0.76
▸ USP2 O75604 4/20 0.76
▸ HSD17B10 Q99714 3/20 0.76
▸ TTR P02766 2/20 0.76
▸ ADORA3 P0DMS8 2/20 0.76
▸ PDE4D Q08499 2/20 0.76
▸ RXRA P19793 2/20 0.76
▸ ALDH1A1 P00352 2/20 0.76
▸ MAPT P10636 2/20 0.76
▸ NR1I2 O75469 2/20 0.76
▸ NR3C1 P04150 1/20 0.76
▸ CYP1A2 P05177 1/20 0.76
▸ HTR1A P08908 1/20 0.76
▸ CYP2C9 P11712 1/20 0.76
▸ TBXA2R P21731 1/20 0.76

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
SCHEMBL8369341 0.90 THRB (0.76) THRBMEN1KMT2ATHRALMNA
SCHEMBL8369339 0.90 THRB (0.76) THRBMEN1KMT2ATHRALMNA
SCHEMBL9746882 0.88 THRB (0.74) THRBMEN1KMT2ATHRALMNA
Hydrochloric Acid SCHEMBL8825447 0.88 THRB (0.74) THRBMEN1KMT2ATHRALMNA
SCHEMBL9748040 0.88 THRB (0.74) THRBMEN1KMT2ATHRALMNA
Hydrochloric Acid SCHEMBL8825443 0.88 THRB (0.74) THRBMEN1KMT2ATHRALMNA
SCHEMBL25773005 0.88 THRB (0.82) THRBMEN1KMT2ATHRALMNA
Hydrochloric Acid SCHEMBL10877383 0.87 THRB (0.73) THRBMEN1KMT2ATHRALMNA
Hydrochloric Acid SCHEMBL10877373 0.87 THRB (0.73) THRBMEN1KMT2ATHRALMNA
Levothyroxine SCHEMBL23098 0.86 THRB (1.00) THRBMEN1KMT2ATHRALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170020995-A1 Serine Protease Primary Hemostatic Agent WORTHAM LEON (US) 2017-01-26 — — US disclosed
WO-2009126841-A1 ENZYMATIC BIOSENSORS WITH ENHANCED ACTIVITY RETENTION FOR DETECTION OF ORGANIC COMPOUNDS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-10-15 — — WO disclosed
US-20020103139-A1 Solid self-emulsifying controlled release drug delivery system composition for enhanced delivery of water insoluble phytosterols and other hydrophobic natural compounds for body weight and cholestrol level control ALPHARX INC. (CA) 2002-08-01 — — US disclosed
EP-0171871-A1 A method for determining the unsaturated binding capacity of a serum protein WARNER-LAMBERT COMPANY (US) 1986-02-19 — — EP disclosed
US-4225784-A Covalently bound biological substances to plastic materials and use in radioassay SMITH KLINE INSTRUMENTS, INC. (US) 1980-09-30 — — US disclosed
US-4066410-A RADIOACTIVE HORMONE BINDS TO ANTIBODIES NUCLEAR-MEDICAL LABORATORIES, INC. (US) 1978-01-03 — — 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-20020103139-A1 Solid self-emulsifying controlled release drug delivery system composition for enhanced delivery of water insoluble phytosterols and other hydrophobic natural compounds for body weight and cholestrol level control CETP, CYP46A1, NPC1L1 THRB 3653/4885MEN1 3723/4885KMT2A 2746/4885

“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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