SCHEMBL3899768

SCHEMBL3899768

COC(=O)C1=C(Nc2ccc(Cl)cc2)CC(C(=O)OC)C(Nc2ccc(Cl)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 8/20 0.43
▸ SLC6A3 Q01959 3/20 0.40
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL3900452 0.89 ACHE (0.45) ACHEGAAMAPTHPGDSMN1; SMN2
SCHEMBL3895790 0.88 ACHE (0.43) ACHESLC6A3HPGDSMN1; SMN2
SCHEMBL3909908 0.88 ACHE (0.44) ACHEMAPTHPGDALDH1A1
SCHEMBL3902804 0.86 ALDH1A1 (0.36) ACHEGAAMAPTHPGDSMN1; SMN2
SCHEMBL3905199 0.86 SLC6A2 (0.41) ACHESLC6A3MAPTHPGDSLC6A2
SCHEMBL3899791 0.85 ACHE (0.39) ACHEGAAMAPTALDH1A1
SCHEMBL3908430 0.85 ACHE (0.33) ACHEMAPT
SCHEMBL4098337 0.84 SLC6A3 (0.42) SLC6A3GAAMAPTHPGDSLC6A2
SCHEMBL3897271 0.84 JAK3 (0.36) ACHEHPGDSMN1; SMN2ALDH1A1
SCHEMBL3908589 0.80 NPC1 (0.39) SLC6A3GAAMAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632106-B2 Process for the production of 2,5-di(arylamino)-3,6- dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MFG CO (JP) 2009-02-25 — — EP disclosed
US-20090017307-A1 Process for the Preparation of Organic Materials MCA TECHNOLOGIES, GMBH (CH) 2009-01-15 — — US disclosed
US-20080060554-A1 Process for the Preparation of Organic Materials MCA TECHNOLOGIES, GMBH (CH) 2008-03-13 — — US disclosed
US-20070119345-A1 Process for the preparation of organic materials MCA TECHNOLOGIES, GMBH (CH) 2007-05-31 — — US disclosed
EP-1725619-A1 PROCESS FOR THE PREPARATION OF ORGANIC PIGMENTS MCA Technologies GMBH (CH) 2006-11-29 — — EP disclosed
WO-2005085364-A1 PROCESS FOR THE PREPARATION OF ORGANIC PIGMENTS MCA TECHNOLOGIES GMBH (CH) 2005-09-15 — — WO disclosed
EP-0632106-B1 Process for the production of 2,5-di(arylamino)-3,6- dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MFG CO (JP) 2001-08-22 — — EP disclosed
US-5817817-A Process for the production of 2,5-di(arylamino)-3,6-dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MANUFACTURING CO., LTD. (JP) 1998-10-06 — — US disclosed
US-5659036-A Process for the production of 2,5-di(arylamino)-3,6-dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MANUFACTURING CO., LTD. (JP) 1997-08-19 — — US disclosed
EP-0632106-A1 Process for the production of 2,5-di(arylamino)-3,6- dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MANUFACTURING CO., LTD. (JP) 1995-01-04 — — EP disclosed
US-5093497-A PROCESS FOR THE PREPARATION OF A SUBSTITUTED OR UNSUBSTITUTED QUINACRIDONE BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 — — US disclosed
US-4758664-A Process for the preparation of linear quinacridones HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 — — US 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-20090017307-A1 Process for the Preparation of Organic Materials KLK4, PDK4, GRK1 ACHE 2362/4885SLC6A3 3377/4885GAA 1816/4885

“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.

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