SCHEMBL5895138

SCHEMBL5895138

OCCCCCCOCC1COc2cscc2O1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 3/20 0.33
S1PR1 P21453 2/20 0.33
SGPL1 O95470 1/20 0.33
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPK1 P28482 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL31516454 0.99 TSHR (0.39) TSHRALDH1A1TDP1CYP2D6S1PR1
SCHEMBL13701401 0.88 TSHR (0.39) TSHRALDH1A1TDP1CYP2D6S1PR1
SCHEMBL13701396 0.88 TSHR (0.39) TSHRALDH1A1TDP1CYP2D6S1PR1
SCHEMBL29829574 0.86 ALDH1A1 (0.53) TSHRALDH1A1TDP1S1PR1SGPL1
SCHEMBL4257286 0.86 ALDH1A1 (0.53) TSHRALDH1A1TDP1S1PR1SGPL1
SCHEMBL4263589 0.86 ALDH1A1 (0.53) TSHRALDH1A1TDP1S1PR1SGPL1
SCHEMBL4258515 0.86 ALDH1A1 (0.53) TSHRALDH1A1TDP1S1PR1SGPL1
SCHEMBL4269346 0.86 ALDH1A1 (0.53) TSHRALDH1A1TDP1S1PR1SGPL1
SCHEMBL31516452 0.86 ALDH1A1 (0.34) ALDH1A1CYP2D6S1PR1SGPL1CYP2C19
SCHEMBL13701408 0.86 TSHR (0.40) TSHRALDH1A1TDP1CYP2D6S1PR1

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-7094865-B2 Thiophenes and polymers derived therefrom AGFA GEVAERT (BE) 2006-08-22 US disclosed
EP-1390422-B1 THIOPHENES AND POLYMERS DERIVED THEREFROM AGFA GEVAERT (BE) 2004-11-03 EP disclosed
US-20030055130-A1 New thiophenes and polymers derived therefrom AGFA-GEVAERT (BE) 2003-03-20 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-20030055130-A1 New thiophenes and polymers derived therefrom NOTUM, WEE1, THEM6 TSHR 2260/4885ALDH1A1 136/4885TDP1 1412/4885

“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.