SCHEMBL10249904

SCHEMBL10249904

CCOC(=O)CC(C)(O)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.47
HSD11B1 P28845 1/20 0.46
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PPID Q08752 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL314187 0.83 MEN1 (0.43) HSD11B1POLBTSHRALDH1A1MEN1
SCHEMBL11496033 0.82 HSD11B1 (0.45) HSD11B1POLBTSHRSMN1; SMN2PPID
SCHEMBL313012 0.80 POLB (0.55) HSD11B1POLBTSHRSMN1; SMN2PPID
SCHEMBL16791428 0.76 PKM (0.58) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL6821927 0.75 POLB (0.47) HSD11B1POLBTSHRSMN1; SMN2PPID
SCHEMBL7127844 0.75 GABRA1 (0.42) NLRP3TSHRALDH1A1MEN1KMT2A
SCHEMBL19130505 0.75 GABRA1 (0.42) NLRP3TSHRALDH1A1MEN1KMT2A
SCHEMBL23643713 0.74 CA12 (0.46) NLRP3HSD11B1POLBTSHRSMN1; SMN2
SCHEMBL28291723 0.74 LMNA (0.50) HSD11B1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL31294807 0.74 HSD11B1 (0.38) NLRP3HSD11B1TSHRSMN1; SMN2ALDH1A1

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 NLRP3 898/4885HSD11B1 7/4885POLB 3485/4885

“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.