SCHEMBL3073148

SCHEMBL3073148

c1ccc2c(C3COCCO3)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KDM1A O60341 1/20 0.43
DRD2 P14416 1/20 0.38
GSK3B P49841 1/20 0.37
ADK P55263 1/20 0.37
MTNR1A P48039 2/20 0.37
IDO1 P14902 1/20 0.37
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
BLM P54132 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP2 O95551 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP3 P42574 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4721061 0.85 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3KDM1AALDH1A1
SCHEMBL2464189 0.85 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL10300820 0.85 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL5852684 0.85 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL30360438 0.84 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL2321092 0.82 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL12533540 0.81 LMNA (0.38) ALDH1A1HTTLMNASMN1; SMN2
Methyl Alcohol SCHEMBL8766877 0.80 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL11122577 0.80 ALDH1A1 (0.40) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL30473345 0.77 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3KDM1ADRD2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63094875-A None JP disclosed
CN-104341403-A 2,5-diheterocyclic-substituted naphthyl dioxane derivative and preparation method thereof SHANDONG SHENGHUA ELECTRONIC NEW MATERIAL CO LTD 2015-02-11 CN disclosed
CN-104341403-A 2,5-diheterocyclic-substituted naphthyl dioxane derivative and preparation method thereof SHANDONG SHENGHUA ELECTRONIC NEW MATERIAL CO LTD 2015-02-11 CN disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1896483-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-03-12 EP 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-2006103544-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006103545-A1 4-PIPERAZINYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO 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
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
JP-S6394875-A RECORDING MATERIAL FUJI PHOTO FILM CO LTD 1988-04-25 JP 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 (2 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 SLC6A4 533/4885SLC6A2 3030/4885SLC6A3 2115/4885
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 SLC6A4 1261/4885SLC6A2 3777/4885SLC6A3 2951/4885

“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.