SCHEMBL8084789

SCHEMBL8084789

OC[C@H]1OC(c2ccccc2)O[C@H]2[C@@H]1OC1OC(c3ccccc3)O[C@@H]12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 3/20 0.40
TXNRD3 Q86VQ6 3/20 0.40
TXNRD2 Q9NNW7 3/20 0.40
SLC5A2 P31639 5/20 0.36
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C19 P33261 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.31
P2RY2 P41231 1/20 0.31
P2RY12 Q9H244 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7149673 1.00 TXNRD1 (0.40) TXNRD1TXNRD3TXNRD2SLC5A2ALDH1A1
SCHEMBL29306309 1.00 TXNRD1 (0.40) TXNRD1TXNRD3TXNRD2SLC5A2ALDH1A1
SCHEMBL7154382 0.90 SLC5A2 (0.41) TXNRD1TXNRD3TXNRD2SLC5A2ALDH1A1
SCHEMBL31135220 0.90 SLC5A2 (0.41) TXNRD1TXNRD3TXNRD2SLC5A2ALDH1A1
SCHEMBL23252921 0.86 TXNRD1 (0.42) TXNRD1TXNRD3TXNRD2SLC5A2ALDH1A1
SCHEMBL23252821 0.84 HPGD (0.34) TXNRD1TXNRD3TXNRD2ALDH1A1TSHR
SCHEMBL23252864 0.84 ALDH1A1 (0.35) TXNRD1TXNRD3TXNRD2ALDH1A1TSHR
SCHEMBL7150901 0.82 ALDH1A1 (0.44) TXNRD1TXNRD3TXNRD2ALDH1A1LMNA
SCHEMBL31571169 0.82 ALDH1A1 (0.44) TXNRD1TXNRD3TXNRD2ALDH1A1LMNA
SCHEMBL19987642 0.82 ALDH1A1 (0.44) TXNRD1TXNRD3TXNRD2ALDH1A1LMNA

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
WO-1998007653-A1 CHIRAL HYDRIDE COMPLEXES ZEELAND CHEMICALS, INC. (US) 1998-02-26 WO claimed
US-20120289733-A1 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS ANDERSON DEVELOPMENT COMPANY (US) 2012-11-15 US disclosed
US-6090950-A Chiral hydride complexes ZEELAND CHEMICALS, INC. (US) 2000-07-18 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-20120289733-A1 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS BRS3, BRSK1, CA4 TXNRD1 4858/4885TXNRD3 4453/4885TXNRD2 4792/4885

“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.