SCHEMBL5069828

SCHEMBL5069828

C[C@](O)(CO)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
CYP2C19 P33261 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 2/20 0.50
LMNA P02545 2/20 0.48
CYP2D6 P10635 2/20 0.48
TRPA1 O75762 1/20 0.47
FDPS P14324 1/20 0.45
TSHR P16473 2/20 0.44
HIF1A Q16665 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
SCN1A P35498 1/20 0.39

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
SCHEMBL5065515 1.00 SLC6A2 (0.52) SLC6A2TAAR1CYP2C19CYP2C9CYP1A2
SCHEMBL5065523 1.00 SLC6A2 (0.52) SLC6A2TAAR1CYP2C19CYP2C9CYP1A2
SCHEMBL809278 0.88 SLC6A2 (0.58) SLC6A2TAAR1CYP2C19CYP2C9CYP1A2
SCHEMBL515470 0.82 SLC6A2 (0.52) SLC6A2TAAR1CYP2C19CYP2C9CYP1A2
SCHEMBL1396353 0.80 TAAR1 (0.56) SLC6A2TAAR1CYP2C19CYP2C9CYP1A2
SCHEMBL6462740 0.80 SLC6A2 (0.50) SLC6A2TAAR1CYP2C19CYP2C9CYP1A2
SCHEMBL27660447 0.80 TRPA1 (0.50) SLC6A2TAAR1CYP2C19CYP2C9CYP1A2
SCHEMBL28330980 0.80 SLC6A2 (0.50) SLC6A2TAAR1CYP2C19CYP2C9CYP1A2
SCHEMBL113690 0.79 SLC6A2 (0.54) SLC6A2TAAR1CYP2C19CYP2C9CYP1A2
SCHEMBL5164402 0.79 SLC6A2 (0.54) SLC6A2TAAR1CYP2C19CYP2C9CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756271-B1 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM 2,2-DISUBSTITUTED EPOXIDES CSIR (ZA) 2015-12-09 EP disclosed
US-20080286832-A1 Methods for Obtaining Optically Active Epoxides and Vicinal Diols From 2,2-Disubstituted Epoxides COUNCIL FOR SCIENTIFIC AND INDUSTRIAL RESEARCH (ZA) 2008-11-20 US disclosed
EP-1756271-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM 2,2-DISUBSTITUTED EPOXIDES CSIR (ZA) 2007-02-28 EP disclosed
WO-2005100587-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM 2,2-DISUBSTITUTED EPOXIDES CSIR (ZA) 2005-10-27 WO 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-20080286832-A1 Methods for Obtaining Optically Active Epoxides and Vicinal Diols From 2,2-Disubstituted Epoxides EPHX2, ERG28, DERA SLC6A2 3374/4885TAAR1 4076/4885CYP2C19 1446/4885

“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.