SCHEMBL13439628

SCHEMBL13439628

O=C1CC(=O)c2c(O)cccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.56
MAPT P10636 9/20 0.54
ALDH1A1 P00352 6/20 0.54
TDP1 Q9NUW8 5/20 0.54
ALOX15 P16050 4/20 0.54
HSD17B10 Q99714 4/20 0.54
MAPK1 P28482 4/20 0.54
HPGD P15428 4/20 0.54
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
MAOB P27338 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 8/20 0.52
RECQL P46063 6/20 0.52
MCL1 Q07820 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MEN1 O00255 6/20 0.50
KDM4E B2RXH2 6/20 0.50
USP2 O75604 4/20 0.50

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
SCHEMBL5793477 0.83 MAOA (0.56) MAOAMAPTALDH1A1TDP1ALOX15
SCHEMBL2821364 0.74 MAPT (0.52) MAPTALDH1A1HPGDKMT2ARECQL
SCHEMBL14939549 0.74 MAPT (0.52) MAPTALDH1A1HPGDKMT2ARECQL
SCHEMBL11237539 0.74 KMT2A (0.52) MAPTALDH1A1MAPK1HPGDTSHR
SCHEMBL10672939 0.74 KMT2A (0.52) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL3663529 0.74 KMT2A (0.52) MAOAMAPTALDH1A1TDP1ALOX15
SCHEMBL20652853 0.74 MAOA (0.50) MAOAMAPTALDH1A1TDP1ALOX15
Anthrarufin SCHEMBL187843 0.72 MAOA (1.00) MAOAMAPTALDH1A1TDP1ALOX15
Anthrarufin SCHEMBL29874705 0.72 MAOA (1.00) MAOAMAPTALDH1A1TDP1ALOX15
Anthrarufin SCHEMBL29363946 0.72 MAOA (1.00) MAOAMAPTALDH1A1TDP1ALOX15

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-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 MAOA 2485/4885MAPT 3475/4885ALDH1A1 1978/4885

“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.