SCHEMBL4720802

SCHEMBL4720802

CCOc1ccccc1[C]1CCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PPARG P37231 1/20 0.41
STAT3 P40763 1/20 0.41
NCOA2 Q15596 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41
ENPP1 P22413 2/20 0.40
PTPRC P08575 1/20 0.40
ENPP3 O14638 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TTR P02766 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 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
SCHEMBL4722338 0.95 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10KDM4EPPARG
SCHEMBL4722834 0.88 CYP1A2 (0.40) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL4720559 0.86 CYP1A2 (0.49) KDM4EMAPTADRB2
SCHEMBL4721316 0.84 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10KDM4EPPARG
SCHEMBL4720110 0.83 CYP1A2 (0.40) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL4720981 0.82 CYP1A2 (0.48) ALDH1A1KDM4EMAPTL3MBTL1HTR2B
SCHEMBL4720388 0.81 APP (0.43) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL4719777 0.77 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EPPARGSTAT3
SCHEMBL4720534 0.77 SLC6A2 (0.47) ALDH1A1HPGDKDM4EPPARGSTAT3
SCHEMBL4764160 0.77 APP (0.42) ALDH1A1HPGDHSD17B10KDM4EMAPT

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 622/4885HPGD 800/4885HSD17B10 4259/4885

“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.