SCHEMBL4914100

SCHEMBL4914100

CCCCO[C]1C=CC=CO1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.33
CYP1A2 P05177 8/20 0.32
CYP2C9 P11712 7/20 0.32
CYP2C19 P33261 7/20 0.32
NR5A1 Q13285 1/20 0.32
CYP2D6 P10635 8/20 0.32
CYP3A4 P08684 6/20 0.32
CYP19A1 P11511 6/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
HTR2A P28223 1/20 0.31
MAPK1 P28482 1/20 0.31
SCN1A P35498 1/20 0.31
HTR2B P41595 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN2A Q99250 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SCN3A Q9NY46 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL4921990 0.90
SCHEMBL4721668 0.69 CYP1A2 (0.49) LTA4HCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL6694166 0.64
SCHEMBL10356302 0.63 CYP2D6 (0.55) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL30605677 0.62 LTA4H (0.46) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL10692851 0.62 LTA4H (0.46) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL18612818 0.61 CYP2D6 (0.44) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL26850 0.60 LTA4H (0.70) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
Squaric Acid Dibutyl Ester SCHEMBL56180 0.60 CYP3A4 (0.44) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL13412631 0.58 CYP1A2 (0.52) LTA4HCYP1A2CYP2C9CYP2C19NR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 LTA4H 496/4885CYP1A2 578/4885CYP2C9 648/4885

“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.