SCHEMBL312599

SCHEMBL312599

CCOC(=O)CC(C)(O)C=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C19 P33261 1/20 0.49
HSD11B1 P28845 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
XBP1 P17861 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
DHFR P00374 1/20 0.42
ALOX12 P18054 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
SCHEMBL312597 1.00 CTDSP1 (0.51) CTDSP1MEN1KMT2ACYP2C19HSD11B1
SCHEMBL9796641 0.88 MEN1 (0.49) CTDSP1MEN1KMT2ACYP2C19HSD11B1
SCHEMBL9796645 0.88 MEN1 (0.49) CTDSP1MEN1KMT2ACYP2C19HSD11B1
SCHEMBL314148 0.84 SMN1; SMN2 (0.49) CTDSP1MEN1KMT2ACYP2C19HSD11B1
SCHEMBL314150 0.84 SMN1; SMN2 (0.49) CTDSP1MEN1KMT2ACYP2C19HSD11B1
SCHEMBL2939921 0.83 CYP2C19 (0.54) KMT2ACYP2C19L3MBTL1SMN1; SMN2RAB9A
SCHEMBL2939919 0.83 CYP2C19 (0.54) KMT2ACYP2C19L3MBTL1SMN1; SMN2RAB9A
SCHEMBL20346330 0.79 MEN1 (0.50) CTDSP1MEN1KMT2ACYP2C19L3MBTL1
SCHEMBL6067649 0.79 MEN1 (0.50) CTDSP1MEN1KMT2ACYP2C19L3MBTL1
SCHEMBL11388893 0.79 ABCB1 (0.44) MEN1KMT2AHSD11B1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8093403-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-10 US disclosed
EP-2275411-A2 Reformatsky Reagent in Stable Form and Process for Producing the Same Takeda Pharmaceutical Company Limited (JP) 2011-01-19 EP disclosed
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 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 (2 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 CTDSP1 4015/4885MEN1 389/4885KMT2A 1391/4885
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 CTDSP1 4015/4885MEN1 389/4885KMT2A 1391/4885

“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.