SCHEMBL4098338

SCHEMBL4098338

CCOC(=O)C1=C(Nc2cccc(Cl)c2)CC(C(=O)O)=C(Nc2cccc(Cl)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.54
▸ MAPT P10636 7/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ GAA P10253 2/20 0.50
▸ MGAM O43451 1/20 0.50
▸ SI P14410 1/20 0.50
▸ MGAM2 Q2M2H8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KYAT1 Q16773 1/20 0.48
▸ ALOX5 P09917 2/20 0.47

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 0.86 MAPT (0.49) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL28049711 0.86 MEN1 (0.54) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3899773 0.85 GAA (0.50) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL4098333 0.82 ALDH1A1 (0.53) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3911808 0.82 MAPT (0.52) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL3908593 0.81 MEN1 (0.47) MAPTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL3900458 0.80 CASP3 (0.52) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL3905204 0.79 NPC1 (0.47) MAPTGAALMNASMN1; SMN2MAPK1
SCHEMBL3895791 0.78 CASP3 (0.54) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL3908437 0.77 ALDH1A1 (0.41) MAPTALDH1A1GAALMNASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0654472-B1 Process for the production of 6,13-dihydroquinacridones TOYO INK MFG CO (JP) 2000-03-29 — — EP 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

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 TRPV1 1049/4885MAPT 687/4885ALDH1A1 431/4885

“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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