SCHEMBL13462732

SCHEMBL13462732

CCc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.63
RXRA P19793 1/20 0.60
RXRB P28702 1/20 0.60
FFAR1 O14842 2/20 0.59
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 2/20 0.53
BCHE P06276 1/20 0.53
APP P05067 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
MAOA P21397 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL12806827 0.96 RXRA (0.60) GSTP1RXRARXRBFFAR1LMNA
SCHEMBL464352 0.90 RXRA (0.66) RXRARXRBLMNACYP1A2PTGS1
SCHEMBL12603773 0.88 APP (0.64) RXRARXRBFFAR1LMNACYP1A2
SCHEMBL1096817 0.86 LMNA (0.69) GSTP1FFAR1LMNACYP1A2PTGS1
SCHEMBL12285274 0.86 GSTP1 (0.68) GSTP1FFAR1LMNACYP1A2PTGS1
SCHEMBL23483029 0.86 LMNA (0.69) GSTP1FFAR1LMNACYP1A2PTGS1
SCHEMBL23665904 0.86 GSTP1 (0.68) GSTP1FFAR1LMNACYP1A2PTGS1
SCHEMBL11844142 0.85 RXRA (0.60) RXRARXRBLMNACYP1A2PTGS1
SCHEMBL11855314 0.85 LTA4H (0.60) RXRARXRBFFAR1LMNACYP1A2
SCHEMBL12885558 0.85 MAOB (0.56) GSTP1RXRARXRBFFAR1MAOB

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 GSTP1 4315/4885RXRA 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.