SCHEMBL3757768

SCHEMBL3757768

C=C(C)C(=O)NC=C(C)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.40
ALDH1A1 P00352 5/20 0.40
CYP2D6 P10635 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 2/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
THRB P10828 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
GPR35 Q9HC97 2/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DHODH Q02127 1/20 0.35
TGFBR1 P36897 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL28616916 0.83 TSHR (0.36) ALDH1A1TSHRTHRBTGFBR1
SCHEMBL22576036 0.81 THRB (0.35) ALDH1A1TSHRTHRBTGFBR1
SCHEMBL17105851 0.81 ALDH1A1 (0.48) GLO1ALDH1A1CYP2D6SMN1; SMN2CYP2C19
SCHEMBL19859116 0.80 TSHR (0.43) ALDH1A1CYP2D6CYP2C19TSHRMAPT
SCHEMBL8928230 0.79 GLO1 (0.44) GLO1ALDH1A1CYP2D6SMN1; SMN2CYP2C19
SCHEMBL22578573 0.79 THRB (0.37) TSHRGAAMGAMSIMGAM2
SCHEMBL3699121 0.78 GLO1 (0.42) GLO1ALDH1A1CYP2D6SMN1; SMN2CYP2C19
SCHEMBL4828320 0.76 GLO1 (0.41) GLO1ALDH1A1CYP2D6SMN1; SMN2CYP2C19
SCHEMBL28932466 0.75 GLO1 (0.40) GLO1ALDH1A1CYP2D6SMN1; SMN2CYP2C19
SCHEMBL516444 0.75 GLO1 (0.47) GLO1ALDH1A1CYP2D6SMN1; SMN2CYP2C19

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-20100297540-A1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2010-11-25 US disclosed
US-20100261827-A1 ISOLABLE AND REDISPERSABLE TRANSITION METAL NANOPARTICLES THEIR PREPARATION AND USE AS IR ABSORBERS BASF SE (DE) 2010-10-14 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-20100297540-A1 SULPHONIUM SALT INITIATORS SULT1A1, SULT2A1, NCOA1 GLO1 884/4885ALDH1A1 1081/4885CYP2D6 3143/4885

“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.