SCHEMBL10249906

SCHEMBL10249906

CCOC(=O)CC(O)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NLRP3 Q96P20 4/20 0.45
CASP1 P29466 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
F2 P00734 1/20 0.40

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
SCHEMBL16797693 0.85 CA12 (0.46) TSHRALDH1A1NLRP3CASP1MEN1
SCHEMBL5972758 0.85 TSHR (0.48) TSHRALDH1A1NLRP3MEN1NPC1
SCHEMBL312971 0.84 POLB (0.48) TSHRALDH1A1NLRP3MEN1KMT2A
SCHEMBL3224732 0.84 NLRP3 (0.44) TSHRALDH1A1NLRP3CASP1NPC1
SCHEMBL7529144 0.84 TSHR (0.44) TSHRALDH1A1NLRP3CASP1MEN1
SCHEMBL16796779 0.84 CYP4F2 (0.45) NLRP3CASP1CYP4F2CYP4A11
SCHEMBL8771003 0.84 CASP1 (0.57) TSHRALDH1A1NLRP3CASP1MEN1
SCHEMBL2320013 0.83 ALDH1A1 (0.47) TSHRALDH1A1NLRP3MEN1NPC1
SCHEMBL12499810 0.83 ALDH1A1 (0.47) TSHRALDH1A1NLRP3MEN1NPC1
Hydrochloric Acid SCHEMBL2319627 0.82 ALDH1A1 (0.46) TSHRALDH1A1NLRP3MEN1NPC1

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-8586762-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-19 US disclosed
US-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 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-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 TSHR 3177/4885ALDH1A1 1252/4885NLRP3 898/4885

“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.