SCHEMBL4098333

SCHEMBL4098333

COC(=O)C1=C(Nc2cccc(Cl)c2)CC(C(=O)OC)=C(Nc2cccc(Cl)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ LMNA P02545 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SLC6A3 Q01959 3/20 0.50
▸ ALOX5 P09917 3/20 0.50
▸ SLC6A2 P23975 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ GFER P55789 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HSP90B1 P14625 1/20 0.47
▸ FADS1 O60427 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL28049711 0.83 MEN1 (0.54) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL4098338 0.82 TRPV1 (0.54) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL1415617 0.81 SLC6A3 (0.49) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3909905 0.81 MAPT (0.53) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL24702483 0.80 HDAC3 (0.47) LMNAMAPTHTTSLC6A2SMN1; SMN2
SCHEMBL7621011 0.77 MAPT (0.49) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5928176 0.77 RAB9A (0.62) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3908584 0.77 NPC1 (0.49) ALDH1A1MEN1KMT2AMAPTSLC6A3
SCHEMBL4098337 0.76 SLC6A3 (0.42) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL13940844 0.76 AKR1C3 (0.63) ALDH1A1MEN1KMT2ALMNAMAPT

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 ALDH1A1 431/4885MEN1 3197/4885KMT2A 2942/4885

“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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