SCHEMBL3900458

SCHEMBL3900458

CCOC(=O)C1=C(Nc2ccc(C)cc2)CC(C(=O)O)=C(Nc2ccc(C)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.52
▸ ACHE P22303 4/20 0.47
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 1/20 0.43
▸ KYAT1 Q16773 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ NPEPPS P55786 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL3909913 0.90 MAPT (0.49) CASP3ACHEGAAMEN1KMT2A
SCHEMBL3895791 0.89 CASP3 (0.54) CASP3GAAMEN1KMT2ASMN1; SMN2
SCHEMBL3899773 0.89 GAA (0.50) CASP3ACHEGAAMEN1KMT2A
SCHEMBL3905204 0.88 NPC1 (0.47) ACHEGAAMEN1KMT2ASMN1; SMN2
SCHEMBL1415514 0.87 AKR1C3 (0.46) GAAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3908437 0.86 ALDH1A1 (0.41) CASP3GAAMEN1KMT2ASMN1; SMN2
SCHEMBL3899794 0.86 DHODH (0.48) CASP3ACHEGAAMEN1KMT2A
SCHEMBL3911808 0.85 MAPT (0.52) ACHEGAAMEN1KMT2ASMN1; SMN2
SCHEMBL28825749 0.82 HPGD (0.55) CASP3ACHEGAAMEN1KMT2A
SCHEMBL1415828 0.81 TDP1 (0.48) CASP3ACHEGAAMEN1KMT2A

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 14 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
EP-0654472-B1 Process for the production of 6,13-dihydroquinacridones TOYO INK MFG CO (JP) 2000-03-29 — — 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
US-5610306-A ALCOHOL ELIMINATION REACTION OF 2,5-DI(PHENYLAMINO)-3,6--DIHYDROTEREPHTHALIC ACID DIALKYL ESTER; CYCLIZATION TOYO INK MANUFACTURING CO., LTD. (JP) 1997-03-11 — — US disclosed
EP-0654472-A1 Process for the production of 6,13-dihydroquinacridones and apparatus for use for the production TOYO INK MANUFACTURING CO., LTD. (JP) 1995-05-24 — — EP 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-5347038-A Starting material for quinacridone pigments, pollution control, from succinic acid diester and aniline HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-13 — — 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 CASP3 4525/4885ACHE 2362/4885GAA 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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