SCHEMBL4918652

SCHEMBL4918652

[CH2]CCOCCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
IDO1 P14902 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL9021246 0.98 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AIDO1
SCHEMBL8500354 0.98 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AIDO1
SCHEMBL9021154 0.98 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AIDO1
SCHEMBL9021144 0.98 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AIDO1
SCHEMBL57901 0.94 IDO1 (0.55) TDP1L3MBTL1MEN1KMT2AIDO1
SCHEMBL2167006 0.92 TDP1 (0.50) TDP1L3MBTL1MEN1KMT2AIDO1
SCHEMBL57220 0.92 TDP1 (0.50) TDP1L3MBTL1MEN1KMT2AIDO1
SCHEMBL8500469 0.90 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AIDO1
SCHEMBL9021124 0.90 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AIDO1
SCHEMBL9021262 0.90 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AIDO1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
EP-0500853-B1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM THOMAE GMBH DR K (DE) 1996-12-27 EP disclosed
US-5393774-A Antispasmodic agents PIEPER HELMUT (DE) 1995-02-28 US disclosed
EP-0500853-A1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM. THOMAE GMBH DR K (DE) 1992-09-02 EP disclosed
WO-1992004316-A1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1992-03-19 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 TDP1 1385/4885L3MBTL1 3994/4885MEN1 4406/4885

“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.