SCHEMBL4724401

SCHEMBL4724401

CCOc1ccccc1C1=CC=CO[C]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
PPARG P37231 1/20 0.43
STAT3 P40763 1/20 0.43
NCOA2 Q15596 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
PTPRC P08575 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
TTR P02766 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
EGFR P00533 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
GRM2 Q14416 1/20 0.36
PDE5A O76074 1/20 0.35

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
SCHEMBL4722144 0.88 CYP1A2 (0.39) ALDH1A1KDM4EHPGDMAPTPDE5A
SCHEMBL4721671 0.87 CYP1A2 (0.47) ALDH1A1KDM4EMAPTL3MBTL1PDE5A
SCHEMBL4724055 0.75 ALOX5 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL198911 0.72 ALDH1A1 (0.60) ALDH1A1KDM4EPPARGSTAT3NCOA2
SCHEMBL4915486 0.68
SCHEMBL18497699 0.68 ALDH1A1 (0.55) ALDH1A1KDM4EPPARGSTAT3NCOA2
SCHEMBL4724634 0.67 ALDH1A1 (0.40) ALDH1A1KDM4EPPARGSTAT3NCOA2
SCHEMBL203121 0.65 ADRB2 (0.61) ALDH1A1KDM4EHPGDMAPTPTPRC
1,2-Diethoxybenzene SCHEMBL578986 0.65 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDMAPTNPSR1
1,2-Diethoxybenzene SCHEMBL29428929 0.65 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDMAPTNPSR1

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 ALDH1A1 622/4885KDM4E 2584/4885PPARG 1458/4885

“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.