SCHEMBL176446

SCHEMBL176446

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nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.35

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
Hydrochloric Acid SCHEMBL21933407 0.92 TSHR (0.51) TSHRALDH1A1TDP1THRB
SCHEMBL11337160 0.82 TSHR (0.57) TSHRALDH1A1MAPK1TDP1THRB
SCHEMBL28813009 0.81 TSHR (0.55) TSHRALDH1A1TDP1THRB
Methacrylic Acid SCHEMBL176348 0.80 TSHR (0.62) TSHRALDH1A1MAPK1TDP1
SCHEMBL20723256 0.80 TSHR (0.50) TSHRALDH1A1MAPK1TDP1THRB
SCHEMBL2148573 0.79 TSHR (0.55) TSHRALDH1A1MAPK1TDP1THRB
SCHEMBL21776911 0.78 TSHR (0.75) TSHRALDH1A1MAPK1TDP1
SCHEMBL22686669 0.77 THRB (0.64) TSHRALDH1A1THRB
SCHEMBL30094953 0.77 TSHR (0.54) TSHRALDH1A1MAPK1TDP1THRB
SCHEMBL10477338 0.76 TSHR (0.65) TSHRALDH1A1MAPK1TDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750127-B1 Method of affinity separation. SHISEIDO CO LTD (JP) 2011-07-20 EP disclosed
US-20110021756-A1 METHOD OF MANUFACTURING AN AFFINITY PARTICLE, AFFINITY PARTICLE, AND SEPARATION METHOD SHISEIDO COMPANY, LTD. (JP) 2011-01-27 US disclosed
US-20090321358-A1 Affinity Particle And Method Of Affinity Separation SHISEIDO COMPANY, LTD. (JP) 2009-12-31 US disclosed
US-20070241054-A1 Affinity Particle And Method Of Affinity Separation SHISEIDO COMPANY, LTD. (JP) 2007-10-18 US disclosed
EP-1750127-A1 AFFINITY PARTICLE AND METHOD OF AFFINITY SEPARATION Shiseido Company, Limited (JP) 2007-02-07 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-20110021756-A1 METHOD OF MANUFACTURING AN AFFINITY PARTICLE, AFFINITY PARTICLE, AND SEPARATION METHOD FCGR1A, FCGR3B, FCGR2A TSHR 332/4885ALDH1A1 849/4885MAPK1 3155/4885

“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.