SCHEMBL13439714

SCHEMBL13439714

COC(=O)c1ccc(COc2cccc(C(C)(C)C)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.61
NR4A1 P22736 1/20 0.61
NR4A3 Q92570 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
MAPT P10636 2/20 0.54
MRGPRX4 Q96LA9 2/20 0.53
RXRA P19793 2/20 0.52
RXRB P28702 2/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAOB P27338 1/20 0.50
SMPD1 P17405 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CYP3A4 P08684 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL8458870 0.86 NR4A2 (0.76) NR4A2NR4A1NR4A3SMN1; SMN2RAB9A
SCHEMBL13439695 0.83 NR4A2 (0.74) NR4A2NR4A1NR4A3SMN1; SMN2MEN1
SCHEMBL10396483 0.83 NR4A2 (0.74) NR4A2NR4A1NR4A3SMN1; SMN2MEN1
SCHEMBL13462818 0.82 SMN1; SMN2 (0.62) NR4A2SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL6119786 0.82 RAB9A (0.59) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL13761594 0.82 NR4A2 (0.56) NR4A2NR4A1NR4A3LMNAL3MBTL1
SCHEMBL694037 0.81 RXRA (0.72) NR4A2SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL27893789 0.81 MRGPRX4 (0.59) NR4A2SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL14966572 0.81 MAOB (0.63) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL13439840 0.81 MEN1 (0.58) NR4A2NR4A1NR4A3SMN1; SMN2MEN1

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-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

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 1531/4885NR4A1 1067/4885NR4A3 1515/4885

“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.