SCHEMBL3217709

SCHEMBL3217709

C=CCC(CCCC)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.43
GLS2 Q9UI32 3/20 0.39
TSHR P16473 3/20 0.39
CTSK P43235 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PLA2G2C Q5R387 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL11617657 0.95 PRKCA (0.45) PRKCAGLS2TSHRTRPV1MAPT
SCHEMBL31216700 0.93 PRKCA (0.48) PRKCAGLS2TSHRTRPV1MAPT
SCHEMBL31216717 0.93 PRKCA (0.48) PRKCAGLS2TSHRTRPV1MAPT
SCHEMBL31216704 0.93 PRKCA (0.48) PRKCAGLS2TSHRTRPV1MAPT
SCHEMBL4603438 0.93 PRKCA (0.48) PRKCAGLS2TSHRTRPV1MAPT
SCHEMBL31216699 0.93 PRKCA (0.48) PRKCAGLS2TSHRTRPV1MAPT
SCHEMBL17627885 0.93 PRKCA (0.48) PRKCAGLS2TSHRTRPV1MAPT
SCHEMBL9776393 0.86 PRKCA (0.33) PRKCAGLS2TSHRTRPV1MAPT
SCHEMBL8058797 0.86 TSHR (0.39) PRKCATSHRCTSKMAPTMAPK1
SCHEMBL7593898 0.86 TSHR (0.39) PRKCATSHRCTSKMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586883-B2 Aldehyde-selective wacker-type oxidation of unbiased alkenes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-03-07 US disclosed
US-9586883-B2 Aldehyde-selective wacker-type oxidation of unbiased alkenes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-03-07 US disclosed
US-9586883-B2 Aldehyde-selective wacker-type oxidation of unbiased alkenes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-03-07 US disclosed
US-20140316149-A1 ALDEHYDE-SELECTIVE WACKER-TYPE OXIDATION OF UNBIASED ALKENES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-23 US disclosed
US-20140316149-A1 ALDEHYDE-SELECTIVE WACKER-TYPE OXIDATION OF UNBIASED ALKENES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-23 US disclosed
US-20140316149-A1 ALDEHYDE-SELECTIVE WACKER-TYPE OXIDATION OF UNBIASED ALKENES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-23 US disclosed
US-7786304-B2 Process for the preparation of eszopiclone CENTAUR PHARMACEUTICAL PVT. LTD. (IN) 2010-08-31 US disclosed
US-20080146800-A1 Process for the preparation of eszopiclone CENTAUR PHARMACEUTICAL PVT. LTD. (IN) 2008-06-19 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-20080146800-A1 Process for the preparation of eszopiclone CYP3A5, CYP3A7, CYP51A1 PRKCA 3210/4885GLS2 3884/4885TSHR 2936/4885
US-20140316149-A1 ALDEHYDE-SELECTIVE WACKER-TYPE OXIDATION OF UNBIASED ALKENES AOC2, ALDH2, ALDH3A1 PRKCA 1046/4885GLS2 1054/4885TSHR 4286/4885

“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.