SCHEMBL4720029

SCHEMBL4720029

CCCCOc1ccccc1[C]1CCCOO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP19A1 P11511 1/20 0.47
PDE5A O76074 3/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
CNR2 P34972 7/20 0.37
KDM4E B2RXH2 2/20 0.37
FAAH O00519 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ADRB2 P07550 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4720575 0.93 CYP1A2 (0.39) CYP2C9CYP2C19CYP1A2CYP19A1PDE5A
SCHEMBL4723321 0.92 CYP1A2 (0.49) CYP2C9CYP2C19CYP1A2CYP19A1PDE5A
SCHEMBL4720559 0.86 CYP1A2 (0.49) CYP2C9CYP2C19CYP1A2CYP19A1PDE5A
SCHEMBL4723521 0.84 CYP1A2 (0.40) CYP2C9CYP2C19CYP1A2CYP19A1PDE5A
SCHEMBL4720981 0.82 CYP1A2 (0.48) CYP2C9CYP2C19CYP1A2CYP19A1PDE5A
SCHEMBL4724579 0.79 APP (0.41) CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL4722834 0.78 CYP1A2 (0.40) CYP2C9CYP2C19CYP1A2CYP19A1PDE5A
SCHEMBL4719777 0.78 ALDH1A1 (0.41) PDE5AKDM4EMAPTADRB2ALDH1A1
SCHEMBL4720110 0.74 CYP1A2 (0.40) CYP2C9CYP2C19CYP1A2CYP19A1PDE5A
SCHEMBL4720802 0.72 ALDH1A1 (0.42) KDM4EMAPTADRB2ALDH1A1

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.