SCHEMBL13439830

SCHEMBL13439830

CC(C)(C)c1cccc(OCc2ccc(C#N)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 1/20 0.55
▸ NR4A1 P22736 1/20 0.54
▸ NR4A2 P43354 1/20 0.54
▸ NR4A3 Q92570 1/20 0.54
▸ MAOB P27338 7/20 0.54
▸ SOD1 P00441 1/20 0.49
▸ RAB9A P51151 1/20 0.47
▸ APP P05067 2/20 0.47
▸ SPHK2 Q9NRA0 1/20 0.46
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ MAOA P21397 3/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ PKM P14618 1/20 0.43

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
SCHEMBL13439831 0.87 MAOB (0.52) NR4A1NR4A2NR4A3MAOBSOD1
SCHEMBL23540967 0.87 MAOB (0.59) SMPD1NR4A2MAOBRAB9AAPP
SCHEMBL9503358 0.87 MAOB (0.54) SMPD1NR4A1NR4A2NR4A3MAOB
SCHEMBL13439789 0.83 APP (0.66) NR4A1NR4A2NR4A3MAOBRAB9A
SCHEMBL4699319 0.82 SMPD1 (0.64) SMPD1MAOBRAB9AAPPSPHK2
SCHEMBL13761594 0.82 NR4A2 (0.56) NR4A1NR4A2NR4A3MAOBSOD1
SCHEMBL78171 0.82 MAOB (0.62) NR4A1NR4A2NR4A3MAOBSOD1
SCHEMBL13439834 0.81 NPC1 (0.58) SMPD1NR4A1NR4A2NR4A3MAOB
SCHEMBL11125159 0.81 MAOB (0.57) SMPD1NR4A1NR4A2NR4A3MAOB
SCHEMBL13462937 0.79 MAOB (0.61) SMPD1MAOBSOD1RAB9ASPHK2

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 SMPD1 1026/4885NR4A1 1067/4885NR4A2 1531/4885

“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.

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