SCHEMBL2361798

SCHEMBL2361798

CCCC(O)(CO)C(O)=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
AKR1C3 P42330 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM1A O60341 1/20 0.35
HTT P42858 1/20 0.35
ESR1 P03372 1/20 0.34
RECQL P46063 1/20 0.34
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL2219057 0.87 TDP1 (0.47) GAALMNATDP1
SCHEMBL2216980 0.87 TDP1 (0.47) GAALMNATDP1
SCHEMBL2215035 0.87 TDP1 (0.47) GAALMNATDP1
SCHEMBL2362850 0.74 ALDH1A1 (0.39) CYP2C19LMNAMEN1KMT2ANR1I2
SCHEMBL1238436 0.73 ALDH1A1 (0.40) LMNAMEN1KMT2ANR1I2ALDH1A1
SCHEMBL2221643 0.71 ALDH1A1 (0.39) LMNAMEN1KMT2ANR1I2ALDH1A1
SCHEMBL2859900 0.69 AKR1C3 (0.38) LMNAMEN1KMT2ANR1I2ALDH1A1
1,3-Propanediol SCHEMBL2865031 0.67 FBP1 (0.36) LMNAMEN1KMT2ATDP1NR1I2
SCHEMBL2863424 0.67 MEN1 (0.42) CYP2C19LMNAMEN1KMT2ATDP1
SCHEMBL12593472 0.66 ALDH1A1 (0.46) CYP2C19LMNAMEN1KMT2AALDH1A1

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
US-7989555-B2 Glycerol derivatives and methods of making same GLOBAL AGRITECH, INC. (US) 2011-08-02 US disclosed
WO-2008147671-A2 GLYCEROL DERIVATIVES AND METHODS OF MAKING SAME GLOBAL AGRITECH INC (US) 2008-12-04 WO disclosed
US-20080293602-A1 GLYCEROL DERIVATIVES AND METHODS OF MAKING SAME GLOBAL AGRITECH, INC. 2008-11-27 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-20080293602-A1 GLYCEROL DERIVATIVES AND METHODS OF MAKING SAME GK, HSD17B3, CYP17A1 GAA 2016/4885ALOX12 1155/4885CYP2C19 368/4885

“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.