SCHEMBL4720547

SCHEMBL4720547

CCCCOc1cccc2c1C(c1ccccc1)[C]OO2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP19A1 P11511 1/20 0.36
HIF1A Q16665 1/20 0.36
LTA4H P09960 2/20 0.35
MCHR1 Q99705 1/20 0.34
HTR1B P28222 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL4719889 0.94 HTR2C (0.36) CYP1A2CYP2C9CYP2C19HIF1AMCHR1
SCHEMBL4723823 0.87 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19CYP19A1HIF1A
SCHEMBL4720812 0.82 TP53 (0.43) CYP2C9HTR1B
SCHEMBL4720536 0.80 HTR2C (0.37) CYP1A2CYP2C9CYP2C19HIF1AMCHR1
SCHEMBL4723830 0.79 CYP2C9 (0.42) CYP1A2CYP2C9CYP2C19CYP19A1HTR1B
SCHEMBL4721222 0.76 HTR1B (0.40) HTR1B
SCHEMBL4720305 0.70 ENPP1 (0.38) HTR1BTSHR
SCHEMBL4722451 0.69 TP53 (0.44) CYP2C9HTR1B
1,2-Dibutoxybenzene SCHEMBL1226749 0.66 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19CYP19A1LTA4H
1,2-Dibutoxybenzene SCHEMBL29428927 0.66 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19CYP19A1LTA4H

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 CYP1A2 427/4885CYP2C9 303/4885CYP2C19 195/4885

“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.