SCHEMBL314898

SCHEMBL314898

CCC(C(=O)O)C1(O)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM4 P08173 1/20 0.34
LMNA P02545 2/20 0.33
TBXAS1 P24557 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARA Q07869 1/20 0.32
CYP2C19 P33261 2/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 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
Cyclobutyrol SCHEMBL312912 0.98 CHRM2 (0.36) MMECHRM2CHRM1CHRM3CHRM4
Cyclobutyrol SCHEMBL9558905 0.96 CHRM2 (0.35) MMECHRM2CHRM1CHRM3CHRM4
Cyclobutyrol SCHEMBL10559593 0.96 CHRM2 (0.35) MMECHRM2CHRM1CHRM3CHRM4
Cyclobutyrol SCHEMBL28086622 0.96 CHRM2 (0.35) MMECHRM2CHRM1CHRM3CHRM4
SCHEMBL1186169 0.95 TSHR (0.35) MMECHRM2CHRM1CHRM3CHRM4
SCHEMBL1756825 0.81 ALDH1A1 (0.34) CHRM1CHRM3ALDH1A1
SCHEMBL664693 0.81 CHRM2 (0.35) CHRM2CHRM1CHRM3CHRM4LMNA
Cyclohexane SCHEMBL4027710 0.80 ALDH1A1 (0.38) MMELMNAALDH1A1L3MBTL1SMN1; SMN2
Cyclobutyrol SCHEMBL1649614 0.79 CHRM2 (0.34) CHRM2CHRM1CHRM3CHRM4LMNA
Hydrochloric Acid SCHEMBL2202280 0.79 OPRM1 (0.34)

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 MME 2479/4885CHRM2 4738/4885CHRM1 4795/4885
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 MME 2479/4885CHRM2 4738/4885CHRM1 4795/4885

“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.