SCHEMBL13439802

SCHEMBL13439802

CC(C)(C)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.66
▸ NR4A2 P43354 2/20 0.63
▸ RXRA P19793 1/20 0.63
▸ RXRB P28702 1/20 0.63
▸ GSTP1 P09211 2/20 0.58
▸ POLB P06746 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ FFAR1 O14842 1/20 0.55
▸ NR4A1 P22736 1/20 0.54
▸ NR4A3 Q92570 1/20 0.54
▸ MAOB P27338 2/20 0.53
▸ CYP2C19 P33261 2/20 0.49
▸ BCHE P06276 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ HIF1A Q16665 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
SCHEMBL12732314 0.95 APP (0.63) APPNR4A2RXRARXRBGSTP1
SCHEMBL1702727 0.93 APP (0.74) APPNR4A2RXRARXRBGSTP1
SCHEMBL419050 0.90 APP (0.69) APPNR4A2RXRARXRBPOLB
SCHEMBL12264541 0.90 APP (0.69) APPNR4A2RXRARXRBPOLB
SCHEMBL22275947 0.88 APP (0.82) APPNR4A2RXRARXRBPOLB
SCHEMBL4831805 0.85 MAOB (0.64) APPNR4A2RXRARXRBFFAR1
SCHEMBL6059276 0.85 LMNA (0.55) APPNR4A2RXRARXRBGSTP1
Formaldehyde SCHEMBL27841088 0.85 NR4A2 (0.65) APPNR4A2RXRARXRBGSTP1
SCHEMBL25094064 0.84 GSTP1 (0.52) APPNR4A2RXRARXRBGSTP1
SCHEMBL13439843 0.83 NR4A2 (0.57) APPNR4A2GSTP1NR4A1NR4A3

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 APP 3308/4885NR4A2 1531/4885RXRA 1650/4885

“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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