SCHEMBL2362850

SCHEMBL2362850

CC(O)(CO)C(O)=Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
AKR1C3 P42330 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FBP1 P09467 1/20 0.36
NR1I2 O75469 1/20 0.36
KDM1A O60341 2/20 0.35
LMNA P02545 1/20 0.35
AKR1C1 Q04828 1/20 0.34
ESR1 P03372 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1238436 0.79 ALDH1A1 (0.40) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL2221643 0.77 ALDH1A1 (0.39) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL12593472 0.76 ALDH1A1 (0.46) ALDH1A1TSHRAKR1C3RECQLMEN1
SCHEMBL14765003 0.76 ALDH1A1 (0.46) ALDH1A1TSHRAKR1C3RECQLMEN1
SCHEMBL2859900 0.74 AKR1C3 (0.38) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL2361798 0.74 GAA (0.41) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
1,3-Propanediol SCHEMBL2865031 0.72 FBP1 (0.36) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL8474272 0.71 MEN1 (0.36) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL10833013 0.71 AKR1C3 (0.40) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL28361042 0.70 AKR1C3 (0.50) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9

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 ALDH1A1 1911/4885TSHR 3877/4885AKR1C3 536/4885

“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.