SCHEMBL13439695

SCHEMBL13439695

COC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.74
RXRA P19793 1/20 0.74
RXRB P28702 1/20 0.74
RAB9A P51151 7/20 0.68
NPC1 O15118 6/20 0.68
MAPT P10636 5/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
APP P05067 1/20 0.59
HTT P42858 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.56
MAOB P27338 1/20 0.56
EPHX2 P34913 2/20 0.56
NR1H4 Q96RI1 2/20 0.56
NR4A1 P22736 1/20 0.56
NR4A3 Q92570 1/20 0.56

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
SCHEMBL10396483 1.00 NR4A2 (0.74) NR4A2RXRARXRBRAB9ANPC1
SCHEMBL13673420 0.91 RAB9A (0.68) NR4A2RXRARXRBRAB9ANPC1
SCHEMBL10236929 0.89 RAB9A (0.82) RXRARXRBRAB9ANPC1MAPT
SCHEMBL11350421 0.89 RAB9A (0.82) RXRARXRBRAB9ANPC1MAPT
SCHEMBL9509148 0.88 NR4A2 (0.74) NR4A2RXRARXRBRAB9ANPC1
SCHEMBL6709526 0.87 MAOB (0.74) NR4A2RXRARXRBRAB9ANPC1
SCHEMBL509652 0.87 MAOB (0.74) NR4A2RXRARXRBRAB9ANPC1
SCHEMBL8459965 0.85 RXRA (1.00) NR4A2RXRARXRBRAB9ANPC1
SCHEMBL9813418 0.85 RXRA (1.00) NR4A2RXRARXRBRAB9ANPC1
SCHEMBL28224182 0.85 NR4A2 (0.78) NR4A2RXRARXRBSMN1; SMN2APP

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 4 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
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 NR4A2 1531/4885RXRA 1650/4885RXRB 1478/4885

“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.