SCHEMBL20004029

SCHEMBL20004029

CSc1occ2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 5/20 0.35
CYP2A6 P11509 4/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 2/20 0.35
ELANE P08246 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HPRT1 P00492 1/20 0.32
MYB P10242 1/20 0.31
CYP1A2 P05177 3/20 0.31
KDM4E B2RXH2 5/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 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
SCHEMBL13183713 0.78 ELANE (0.39) TDP1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL21179481 0.70 ALDH1A1 (0.39) TDP1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL1097671 0.70 CYP2A6 (0.42) TDP1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL3128190 0.67 CYP2A6 (0.36) TDP1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL4079696 0.65 CYP2A6 (0.42) TDP1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL2008998 0.65 ALDH1A1 (0.42) TDP1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL286416 0.65 ALDH1A1 (0.39) TDP1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL4897405 0.65 ALDH1A1 (0.39) TDP1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL1605255 0.65 ALDH1A1 (0.39) TDP1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL2012336 0.65 ALDH1A1 (0.39) TDP1ALDH1A1CYP2A6HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544183-B2 Uridine nucleoside derivatives, compositions and methods of use TUFTS UNIVERSITY (US) 2020-01-28 US disclosed
US-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2018-03-29 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 (2 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-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS TDP1 99/4885ALDH1A1 3211/4885CYP2A6 1107/4885
US-10544183-B2 Uridine nucleoside derivatives, compositions and methods of use P2RY6, UPP1, UMPS TDP1 97/4885ALDH1A1 2982/4885CYP2A6 1265/4885

“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.