SCHEMBL4721065

SCHEMBL4721065

CCCOC(=O)c1[c]c2cc3ccccc3cc2cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 4/20 0.44
ADORA3 P0DMS8 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
ESR1 P03372 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
KDR P35968 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4723198 0.92 TSHR (0.50) ALDH1A1LMNAKDM4EHSD17B10TSHR
SCHEMBL4722788 0.89 KDM4E (0.49) ALDH1A1LMNAKDM4EADORA3TSHR
SCHEMBL4722815 0.87 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EADORA3HSD17B10
SCHEMBL4722902 0.81 SLC6A3 (0.44) ALDH1A1KDM4ETSHRSLC6A2MEN1
SCHEMBL4629883 0.79 TSHR (0.54) ALDH1A1LMNAKDM4EHSD17B10TSHR
SCHEMBL22263931 0.78 TSHR (0.55) ALDH1A1LMNAKDM4EHSD17B10TSHR
SCHEMBL22263841 0.77 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EHSD17B10TSHR
SCHEMBL8942783 0.77 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EHSD17B10TSHR
SCHEMBL22263901 0.77 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EHSD17B10TSHR
SCHEMBL1128018 0.76 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EMAOBMEN1

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 622/4885LMNA 2692/4885KDM4E 2584/4885

“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.