SCHEMBL6560435

SCHEMBL6560435

CCCC(O)(CCc1ccccc1)CC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC13A5 Q86YT5 4/20 0.39
MLYCD O95822 1/20 0.39
HPGD P15428 1/20 0.38
HDAC3 O15379 1/20 0.38
PPID Q08752 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5811663 0.90 CA12 (0.40) CA12CA7CA9CA14ALDH1A1
SCHEMBL5794195 0.90 CA12 (0.40) CA12CA7CA9CA14ALDH1A1
SCHEMBL5809381 0.90 CA12 (0.40) CA12CA7CA9CA14ALDH1A1
SCHEMBL4074798 0.87 PPID (0.46) TDP1PPID
SCHEMBL4078833 0.86 CA12 (0.43) CA12CA7CA14ALDH1A1KDM4E
SCHEMBL4078944 0.85 TSHR (0.51) ALDH1A1LMNATDP1SLC13A5
SCHEMBL6696645 0.84 SLC13A5 (0.49) ALDH1A1CYP2C19KDM4ELMNASLC13A5
SCHEMBL4071793 0.84 SLC13A5 (0.49) ALDH1A1CYP2C19KDM4ELMNASLC13A5
SCHEMBL4071789 0.84 SLC13A5 (0.49) ALDH1A1CYP2C19KDM4ELMNASLC13A5
SCHEMBL5808973 0.82 PPID (0.45) ALDH1A1LMNATDP1HDAC3PPID

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
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

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 CA12 1931/4885CA7 1534/4885CA9 1053/4885
US-20030114697-A1 PREPARATION OF ORGANOZINC HALIDES FROM REACTIVE HALOGEN COMPOUNDS AND THEIR USE ZRANB2, ZKSCAN2, ZCCHC8 CA12 1009/4885CA7 447/4885CA9 493/4885

“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.