SCHEMBL4765647

SCHEMBL4765647

CCCCOc1co[c]c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
CYP1A2 P05177 3/20 0.46
LTA4H P09960 2/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CYP19A1 P11511 3/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TLR8 Q9NR97 1/20 0.38
CYP2D6 P10635 2/20 0.37
PTPN1 P18031 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HIF1A Q16665 1/20 0.37
ADRB2 P07550 1/20 0.36
CYP3A4 P08684 1/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36

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
SCHEMBL4723556 0.92 ADORA3 (0.39) CYP2C9CYP2C19CYP1A2BCHEACHE
SCHEMBL4764105 0.84 ADORA1 (0.42) LTA4HTP53KDM4EL3MBTL1ALDH1A1
SCHEMBL4767284 0.78 HTR1B (0.46) CYP2C9CYP2C19CYP1A2CYP19A1GAA
SCHEMBL4723292 0.74 CYP2C9 (0.44) CYP2C9CYP2C19CYP1A2LTA4HBCHE
SCHEMBL4719732 0.73 CYP2C9 (0.42) CYP2C9CYP2C19CYP1A2LTA4HBCHE
SCHEMBL4765696 0.72 CYP2C9 (0.41) CYP2C9CYP2C19CYP1A2LTA4HBCHE
SCHEMBL10706756 0.72 ADRB2 (0.65) CYP2C9CYP2C19CYP1A2CYP19A1TP53
1,2-Dibutoxybenzene SCHEMBL29428927 0.71 CYP1A2 (0.72) CYP2C9CYP2C19CYP1A2LTA4HCYP19A1
1,2-Dibutoxybenzene SCHEMBL1226749 0.71 CYP1A2 (0.72) CYP2C9CYP2C19CYP1A2LTA4HCYP19A1
SCHEMBL4722708 0.70 LTA4H (0.40) CYP2C9CYP2C19CYP1A2LTA4HBCHE

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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 CYP2C9 303/4885CYP2C19 195/4885CYP1A2 427/4885

“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.