SCHEMBL13894599

SCHEMBL13894599

CN(Cl)CCc1ccc(OCc2ccccc2)c(I)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.60
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
BLM P54132 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC2A1 P11166 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
CCR5 P51681 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
KLK1 P06870 1/20 0.42
APP P05067 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL14229906 0.79 FFAR1 (0.58) FFAR1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL13886601 0.79 FFAR1 (0.68) FFAR1SLC2A1FFAR4KLK1F2
SCHEMBL31535724 0.78 FFAR1 (0.62) FFAR1SLC2A1FFAR4KLK1APP
SCHEMBL13886608 0.78 FFAR1 (0.63) FFAR1KDM4ESLC2A1FFAR4APP
SCHEMBL13894610 0.78 FFAR1 (0.63) FFAR1KDM4ESLC2A1FFAR4KLK1
SCHEMBL4454375 0.78 FFAR1 (0.59) FFAR1KDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4448389 0.77 FFAR1 (0.66) FFAR1SLC2A1FFAR4KLK1F2
SCHEMBL13894611 0.77 LTB4R (0.62) FFAR1KDM4ECYP1A2MEN1KMT2A
Hydrochloric Acid SCHEMBL4450217 0.77 FFAR1 (0.61) FFAR1KDM4ESLC2A1FFAR4APP
SCHEMBL14277260 0.75 FFAR1 (0.63) FFAR1KDM4ESLC2A1FFAR4KLK1

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-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7339079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-04 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 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-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF TPO, TSHR, THRB FFAR1 1840/4885KDM4E 3754/4885CYP1A2 283/4885

“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.