SCHEMBL1985106

SCHEMBL1985106

CCCCOC1CCC(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
PRKCA P17252 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
CRBN Q96SW2 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
PPP5C P53041 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL4867998 0.95 CYP1A2 (0.51) CYP1A2CA1CA9PRKCAKMT2A
SCHEMBL1989091 0.93 CYP1A2 (0.54) CYP1A2CA1CA9PRKCA
SCHEMBL1986800 0.93 CYP1A2 (0.54) CYP1A2CA1CA9PRKCA
SCHEMBL1983831 0.93 CYP1A2 (0.54) CYP1A2CA1CA9PRKCA
SCHEMBL8393422 0.93 CYP1A2 (0.54) CYP1A2CA1CA9PRKCA
SCHEMBL1985465 0.93 CYP1A2 (0.54) CYP1A2CA1CA9PRKCA
SCHEMBL7595469 0.85 CYP1A2 (0.45) CYP1A2PRKCAKMT2APOLB
SCHEMBL7590787 0.83 CYP1A2 (0.44) CYP1A2PRKCAKMT2A
SCHEMBL2317576 0.81
SCHEMBL16281629 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716131-B1 NOVEL ALKOXYLACTONES, ALKOXYLACTAMES AND ALKOXYTHIOLACTAMES FOR CONTROLLING PROCESSES BASED ON MICROBIAL INTERACTION HENKEL AG & CO KGAA (DE) 2011-06-29 EP disclosed
US-7825268-B2 Alkoxylactones, alkoxylactams and alkoxythiolactams for controlling processes based on microbial interaction HENKEL AG & CO. KGAA (DE) 2010-11-02 US disclosed
US-20080207734-A1 Novel alkoxylactones, alkoxylactams and alkoxythiolactams for controlling processes based on microbial interaction HENKEL AG & CO. KGAA (DE) 2008-08-28 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-20080207734-A1 Novel alkoxylactones, alkoxylactams and alkoxythiolactams for controlling processes based on microbial interaction COASY, C1S, HACL2 CYP1A2 363/4885CA1 4428/4885CA9 2151/4885

“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.