SCHEMBL13439680

SCHEMBL13439680

CC(C)(C)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.66
NR4A2 P43354 2/20 0.59
RXRA P19793 1/20 0.59
RXRB P28702 1/20 0.59
EPHX2 P34913 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
MAOB P27338 5/20 0.53
PTPRC P08575 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPRB P23467 1/20 0.50
PTPN6 P29350 1/20 0.50
CDC25A P30304 1/20 0.50
PTPN11 Q06124 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.48
PTPRZ1 P23471 1/20 0.47
MMP1 P03956 1/20 0.47

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
SCHEMBL22275947 0.88 APP (0.82) APPNR4A2RXRARXRBMAOB
SCHEMBL23266730 0.86 MAOB (0.70) APPNR4A2RXRARXRBMAOB
SCHEMBL14163891 0.84 RXRA (0.56) APPRXRARXRBMAOBPTPRC
SCHEMBL101989 0.84 TRPV1 (0.62) EPHX2NR1H4NPC1RAB9ATRPV1
SCHEMBL13439807 0.83 MRGPRX4 (0.55) APPNR4A2RXRARXRBMAOB
SCHEMBL13439845 0.83 NR4A1 (0.51) APPNR4A2EPHX2NR1H4MAOB
SCHEMBL12423215 0.83 APP (0.70) APPNR4A2RXRARXRBMAOB
SCHEMBL23266153 0.83 APP (0.70) APPNR4A2RXRARXRBMAOB
SCHEMBL14437997 0.83 MAOB (0.54) MAOBNPC1RAB9AMRGPRX4PTPRZ1
SCHEMBL1702727 0.82 APP (0.74) APPNR4A2RXRARXRBMAOB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895583-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-20130210798-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
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-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-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 (2 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
US-20130210798-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A1, GUCY1A2 APP 2332/4885NR4A2 4138/4885RXRA 3889/4885

“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.