SCHEMBL907441

SCHEMBL907441

O=S(=O)(OCCOCCOCCOCCOCCOCCO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PARL Q9H300 1/20 0.40
RECQL P46063 1/20 0.38
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR6 P50406 1/20 0.35
PSIP1 O75475 1/20 0.35
DUT P33316 1/20 0.35

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
SCHEMBL9861005 1.00 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1PARLRECQL
SCHEMBL16899911 1.00 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1PARLRECQL
SCHEMBL11561329 1.00 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1PARLRECQL
Pyridine SCHEMBL11606317 0.91 MAPT (0.40) ALDH1A1KMT2AMEN1PARLTSHR
SCHEMBL30011527 0.91 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1PARLTSHR
SCHEMBL3447513 0.89 PARL (0.44) ALDH1A1KMT2APARLRECQLTSHR
SCHEMBL30555660 0.89 PARL (0.44) ALDH1A1KMT2APARLRECQLTSHR
SCHEMBL28496864 0.87 PARL (0.43) ALDH1A1KMT2APARLRECQLTSHR
Ammonia Solution, Strong SCHEMBL27898331 0.87 PARL (0.43) ALDH1A1KMT2APARLRECQLTSHR
SCHEMBL10866994 0.87 PARL (0.43) ALDH1A1KMT2APARLRECQLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501991-B2 P53 activating compounds UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2013-08-06 US disclosed
US-20110021529-A1 P53 ACTIVATING COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2011-01-27 US disclosed
EP-2099445-B1 P53 ACTIVATING BENZOYL UREA AND BENZOYL THIOUREA COMPOUNDS UNIV DUNDEE (GB) 2010-11-17 EP disclosed
EP-2099445-A2 P53 ACTIVATING BENZOYL UREA AND BENZOYL THIOUREA COMPOUNDS University Court of The University of Dundee (GB) 2009-09-16 EP disclosed
WO-2008029096-A2 P53 ACTIVATING BENZOYL UREA AND BENZOYL THIOUREA COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2008-03-13 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-20110021529-A1 P53 ACTIVATING COMPOUNDS TP53, TP53BP1, SIRT1 ALDH1A1 2250/4885KMT2A 1664/4885MEN1 1758/4885

“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.