SCHEMBL3279211

SCHEMBL3279211

COC(=O)COc1ccc(C(=O)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 5/20 0.50
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 2/20 0.47
PPARD Q03181 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7401820 0.87 ALDH1A1 (0.49) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL16332495 0.84 GAA (0.59) ALDH1A1MAPTPOLBGAASMN1; SMN2
SCHEMBL2116437 0.84 PTGS2 (0.66) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL14198621 0.83 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14198501 0.83 L3MBTL1 (0.48) CYP2C19MAPTKMT2APOLBL3MBTL1
SCHEMBL13168175 0.83 L3MBTL1 (0.44) CYP2C19MAPTKMT2APOLBL3MBTL1
SCHEMBL10299626 0.82 PTGS2 (0.57) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL13168071 0.82 SMN1; SMN2 (0.49) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL11660766 0.81 ALDH1A1 (0.50) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL13168187 0.81 SMN1; SMN2 (0.43) CYP2C19MAPTKMT2APOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795347-B2 Multi-branched polymer, process for producing the same, and applications thereof MITSUI CHEMICALS, INC. (JP) 2010-09-14 US disclosed
US-7795347-B2 Multi-branched polymer, process for producing the same, and applications thereof MITSUI CHEMICALS, INC. (JP) 2010-09-14 US disclosed
US-7705065-B2 Photoinitiator functionalized with alkoxy groups XEROX CORPORATION (US) 2010-04-27 US disclosed
US-7705065-B2 Photoinitiator functionalized with alkoxy groups XEROX CORPORATION (US) 2010-04-27 US disclosed
US-7705065-B2 Photoinitiator functionalized with alkoxy groups XEROX CORPORATION (US) 2010-04-27 US disclosed
US-20090062418-A1 NOVEL PHOTOINITIATORS XEROX CORPORATION (US) 2009-03-05 US disclosed
US-20090062418-A1 NOVEL PHOTOINITIATORS XEROX CORPORATION (US) 2009-03-05 US disclosed
US-20090062418-A1 NOVEL PHOTOINITIATORS XEROX CORPORATION (US) 2009-03-05 US disclosed
EP-1457512-B1 Multi-branched polymer, process for producing the same, and applications thereof MITSUI CHEMICALS INC (JP) 2008-05-07 EP disclosed
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
CN-1120334-A Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LTD (GB) 1996-04-10 CN disclosed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 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-20090062418-A1 NOVEL PHOTOINITIATORS PPOX, FTO, CBR3 PTGS2 437/4885ALDH1A1 281/4885CYP2C9 399/4885

“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.