SCHEMBL4723329

SCHEMBL4723329

CCCCOc1ccc(C2OCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
HTR2A P28223 1/20 0.49
SCN1A P35498 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCN2A Q99250 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SCN3A Q9NY46 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.47
CRBN Q96SW2 1/20 0.47
LTA4H P09960 3/20 0.46

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
SCHEMBL10757930 0.95 NR5A1 (0.53) NPC1MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL4723525 0.93 ALDH1A1 (0.50) NPC1MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL28336791 0.88 NR5A1 (0.46) NPC1ALDH1A1MAOAMAOBLMNA
SCHEMBL29103200 0.88 NR5A1 (0.46) NPC1ALDH1A1MAOAMAOBLMNA
SCHEMBL4719781 0.85 NQO1 (0.54) NPC1MAPK1ALDH1A1MAOAMAOB
SCHEMBL9778777 0.84 DRD2 (0.43) ALDH1A1CYP1A2KCNH2HRH3RAB9A
SCHEMBL4741399 0.84 KCNH2 (0.40) NPC1MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL9778655 0.84 KDM4E (0.44) KCNH2MAOAMAOBMAPT
SCHEMBL10451177 0.83 MAOA (0.44) NPC1MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL9838215 0.82 NPC1 (0.43) NPC1MAPK1ALDH1A1CYP1A2CHRM2

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 NPC1 3867/4885MAPK1 3922/4885ALDH1A1 622/4885

“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.