SCHEMBL3930385

SCHEMBL3930385

C=CCOC(C(=O)OCC)=C(CC)OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
SOAT1 P35610 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL3930383 1.00 GLO1 (0.37) GLO1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL3919618 0.78 TSHR (0.39) GLO1ALDH1A1TSHRMAPTNPSR1
SCHEMBL3919616 0.78 TSHR (0.39) GLO1ALDH1A1TSHRMAPTNPSR1
SCHEMBL16843451 0.76 TSHR (0.40) GLO1ALDH1A1LMNAHSD17B10TSHR
Ethyl Acetate SCHEMBL27578297 0.73 ALDH1A1 (0.64) GLO1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL10720114 0.71 TSHR (0.40) ALDH1A1LMNAHSD17B10TSHRMAPT
SCHEMBL6370305 0.71 ALDH1A1 (0.48) GLO1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL10444832 0.70 SOAT1 (0.44) GLO1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL1245485 0.70 ALDH1A1 (0.44) GLO1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL17960733 0.70 ALDH1A1 (0.44) GLO1ALDH1A1LMNAHSD17B10TSHR

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-7550607-B2 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses AUSPEX PHARMACEUTICAL, INC. (US) 2009-06-23 US disclosed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 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-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 GLO1 2172/4885ALDH1A1 1435/4885LMNA 1693/4885

“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.