SCHEMBL19008260

SCHEMBL19008260

C=C(CP(=O)(OC)OCC)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 4/20 0.38
PPARD Q03181 1/20 0.37
ALOX15 P16050 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
THRB P10828 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL10334291 0.91 ALDH1A1 (0.41) ALDH1A1TSHRALOX15CYP2D6CYP2C19
SCHEMBL13572509 0.91 TSHR (0.41) ALDH1A1TSHRPPARDALOX15MAPT
SCHEMBL2238293 0.78 TSHR (0.43) ALDH1A1TSHRPPARDALOX15MAPT
SCHEMBL18196371 0.77 TSHR (0.36) ALDH1A1TSHRPPARDMAPTNPSR1
SCHEMBL7166415 0.76 ALDH1A1 (0.38) ALDH1A1TSHRPPARDCYP2D6CYP2C19
SCHEMBL16830099 0.76 ALDH1A1 (0.44) ALDH1A1TSHRALOX15CYP2D6CYP2C19
SCHEMBL12674418 0.74 PPARD (0.47) ALDH1A1TSHRPPARDMAPTTDP1
SCHEMBL8196995 0.74 ALDH1A1 (0.41) ALDH1A1EGLN1
SCHEMBL14955789 0.72 THRB (0.44) ALDH1A1TSHRPPARDMAPTLMNA
SCHEMBL6264155 0.72 ALDH1A1 (0.35) ALDH1A1TSHRCYP2D6CYP2C19MAPT

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-20170172855-A1 Compositions With Controlled Network Structure TECHNISCHE UNIVERSITÄT WIEN (AT) 2017-06-22 US disclosed
US-20170172855-A1 Compositions With Controlled Network Structure TECHNISCHE UNIVERSITÄT WIEN (AT) 2017-06-22 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-20170172855-A1 Compositions With Controlled Network Structure NCLN, RAD51, SMCHD1 ALDH1A1 2901/4885TSHR 4627/4885PPARD 4003/4885

“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.