SCHEMBL4487456

SCHEMBL4487456

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nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
LMNA P02545 3/20 0.33
HCAR2 Q8TDS4 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LDHA P00338 1/20 0.31
SRR Q9GZT4 1/20 0.31

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
SCHEMBL242500 0.83 TSHR (0.47) TSHRLMNAHCAR2MAPTALDH1A1
SCHEMBL4481790 0.81 ALDH1A1 (0.43) TSHRLMNAMAPTALDH1A1
SCHEMBL4484124 0.79 TSHR (0.36) TSHRLMNAALDH1A1TDP1
SCHEMBL4503020 0.79 TSHR (0.42) TSHRLMNAMAPTALDH1A1PTGS2
Benzene SCHEMBL28101101 0.79 TSHR (0.53) TSHRLMNAHCAR2MAPTALDH1A1
SCHEMBL29592771 0.78 TSHR (0.36) TSHRLMNA
Cyclopropane SCHEMBL29205269 0.77 TSHR (0.42) TSHRLMNAHCAR2MAPTALDH1A1
Alcohol SCHEMBL28450885 0.77 LMNA (0.45) TSHRLMNAHCAR2MAPTALDH1A1
Butane SCHEMBL452862 0.77 LMNA (0.50) TSHRLMNAHCAR2MAPTALDH1A1
SCHEMBL4487087 0.77

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-7553989-B2 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-30 US claimed
US-20050272950-A1 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA LTD. (JP) 2005-12-08 US claimed
EP-1561748-A1 MALONIC ACID MONOESTERS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-08-10 EP claimed
US-7553989-B2 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-30 US disclosed
US-20050272950-A1 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA LTD. (JP) 2005-12-08 US disclosed
EP-1561748-A1 MALONIC ACID MONOESTERS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-08-10 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-20050272950-A1 Malonic acid monoesters and process for producing the same ME1, SI, ME3 TSHR 4549/4885LMNA 3181/4885HCAR2 322/4885

“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.