SCHEMBL4219652

SCHEMBL4219652

CCCCCCCCCCCCCCCCCBr.[MgH2]

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
THRB P10828 1/20 0.57
DNM1 Q05193 6/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC22A1 O15245 1/20 0.42

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
SCHEMBL592867 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL19385435 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL11694103 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL4514648 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL4517239 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL1784070 1.00
SCHEMBL335804 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL8139520 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL597810 1.00
SCHEMBL842302 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048185-A1 Therapeutic Drug for Suppressing Functions of NKT Cells Containing Glycolipid Derivative as Active Ingredient JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2009-02-19 US disclosed
EP-1952814-A1 THERAPEUTIC AGENT COMPRISING GLYCOLIPID DERIVATIVE CAPABLE OF INHIBITING THE FUNCTION OF NKT CELL AS ACTIVE INGREDIENT Japan as represented by President of National Center of Neurology and Psychiatry (JP) 2008-08-06 EP 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-20090048185-A1 Therapeutic Drug for Suppressing Functions of NKT Cells Containing Glycolipid Derivative as Active Ingredient CD4, NFATC1, NR1H2 TSHR 3544/4885THRB 3117/4885DNM1 4001/4885

“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.