SCHEMBL6561099

SCHEMBL6561099

COC(=O)CC(Nc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.47
TACR3 P29371 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3308208 0.90 ALDH1A1 (0.55) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL8121589 0.86 ALDH1A1 (0.47) KMT2AMEN1POLBALDH1A1
SCHEMBL8285876 0.83 ALDH1A1 (0.54) KCNA5TACR3KMT2AMEN1POLB
SCHEMBL27929589 0.83 KMT2A (0.43) KMT2AMEN1POLBALDH1A1
SCHEMBL9298256 0.82 EEF2K (0.48) POLBALDH1A1L3MBTL1
SCHEMBL5691034 0.82 EEF2K (0.48) POLBALDH1A1L3MBTL1
SCHEMBL2347309 0.82 HPGD (0.57) KCNA5KMT2APOLBALDH1A1HPGD
SCHEMBL14514066 0.81 TACR3 (0.50) KCNA5TACR3KMT2AMEN1POLB
SCHEMBL15170380 0.81 KMT2A (0.53) KCNA5TACR3KMT2AMEN1POLB
SCHEMBL15170378 0.81 KMT2A (0.53) KCNA5TACR3KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319664-B1 Process for the preparation of organozinc halogen compounds from reactive halogen compounds and use thereof CONSORTIUM ELEKTROCHEM IND (DE) 2004-03-17 EP disclosed
US-6605716-B2 By Reformatsky rearrangement of aldehydes, ketones, or imines in presence of zinc CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIES, GMBH (DE) 2003-08-12 US disclosed
US-6603034-B2 Reacting a reactive halogen compound with zinc in one or more carboxylic esters. It is also possible to prepare keto, hydroxyl and amino compounds of organozinc halides obtained in a first step from a reactive halogen compound and zinc in one Consortium für elektrochemische Industrie GmbH (DE) 2003-08-05 US disclosed
US-20030114697-A1 PREPARATION OF ORGANOZINC HALIDES FROM REACTIVE HALOGEN COMPOUNDS AND THEIR USE CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2003-06-19 US disclosed
EP-1319664-A1 Process for the preparation of organozinc halogen compounds from reactive halogen compounds and use thereof Consortium für elektrochemische Industrie GmbH (DE) 2003-06-18 EP disclosed
US-20020013501-A1 Process for the preparation of hydroxy and amino compounds CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2002-01-31 US disclosed
EP-1167325-A1 Process for preparing hydroxy and amino compounds Consortium für elektrochemische Industrie GmbH (DE) 2002-01-02 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 (2 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-20020013501-A1 Process for the preparation of hydroxy and amino compounds BCKDK, KHK, HRH1 KCNA5 4165/4885TACR3 3088/4885KMT2A 645/4885
US-20030114697-A1 PREPARATION OF ORGANOZINC HALIDES FROM REACTIVE HALOGEN COMPOUNDS AND THEIR USE ZRANB2, ZKSCAN2, ZCCHC8 KCNA5 743/4885TACR3 1622/4885KMT2A 101/4885

“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.