SCHEMBL620072

SCHEMBL620072

OC(OCc1ccccc1)C(O)C(O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CA1 P00915 4/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA7 P43166 1/20 0.46
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42

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
SCHEMBL9725057 0.86 SLC1A3 (0.41) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4412609 0.86 SLC1A3 (0.41) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4409728 0.85 SLC1A3 (0.40) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4411610 0.85 SLC1A3 (0.40) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL27865431 0.83 TDP1 (0.41) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL23030029 0.83 MAPT (0.47) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL7516031 0.83 RCE1 (0.46) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL319274 0.83 RCE1 (0.46) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL27462813 0.83 TSHR (0.44) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL6774653 0.81 TSHR (0.52) TSHRSLC1A3SLC1A2SLC1A1CYP1A2

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
EP-2389348-B1 PROCESS FOR THE SYNTHESIS OF BETA GLYCEROL PHOSPHATE SIGMA ALDRICH CO LLC (US) 2017-11-15 EP disclosed
US-8420848-B2 Process for the synthesis of beta glycerol phosphate SIGMA-ALDRICH CO. LLC (US) 2013-04-16 US disclosed
US-20120041222-A1 PROCESS THE SYNTHESIS OF BETA GLYCEROL PHOSPHATE SIGMA-ALDRICH CO. (US) 2012-02-16 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-20120041222-A1 PROCESS THE SYNTHESIS OF BETA GLYCEROL PHOSPHATE GK, GNPAT, AGPAT5 TSHR 4346/4885SLC1A3 4298/4885SLC1A2 4610/4885

“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.