SCHEMBL7049358

SCHEMBL7049358

CCCC(O)(C=Cc1ccccc1)CC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP2C19 P33261 2/20 0.41
EGFR P00533 6/20 0.41
HDAC3 O15379 2/20 0.41
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
APP P05067 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 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
SCHEMBL7082213 1.00 NPC1 (0.43) NPC1L3MBTL1ALDH1A1CYP2C19EGFR
SCHEMBL7049356 1.00 NPC1 (0.43) NPC1L3MBTL1ALDH1A1CYP2C19EGFR
SCHEMBL7082206 1.00 NPC1 (0.43) NPC1L3MBTL1ALDH1A1CYP2C19EGFR
SCHEMBL7081800 0.85 NPC1 (0.47) NPC1L3MBTL1ALDH1A1CYP2C19EGFR
SCHEMBL7042547 0.85 NPC1 (0.47) NPC1L3MBTL1ALDH1A1CYP2C19EGFR
SCHEMBL7081805 0.85 NPC1 (0.47) NPC1L3MBTL1ALDH1A1CYP2C19EGFR
SCHEMBL7042549 0.85 NPC1 (0.47) NPC1L3MBTL1ALDH1A1CYP2C19EGFR
SCHEMBL312597 0.71 CTDSP1 (0.51) NPC1L3MBTL1ALDH1A1CYP2C19MAPT
SCHEMBL312599 0.71 CTDSP1 (0.51) NPC1L3MBTL1ALDH1A1CYP2C19MAPT
SCHEMBL28149239 0.71 CYP2C19 (0.47) NPC1L3MBTL1ALDH1A1CYP2C19EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109029-A1 Process for the preparation of enantiomerically pure tertiary ss-hydroxycarboxylic acids or their esters CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2003-06-12 US claimed
EP-1298218-A1 Process for the production of enantiomerically pure tertiary beta-hydroxy acids and esters Consortium für elektrochemische Industrie GmbH (DE) 2003-04-02 EP claimed
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-20030109029-A1 Process for the preparation of enantiomerically pure tertiary ss-hydroxycarboxylic acids or their esters CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2003-06-12 US 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 (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-20020013501-A1 Process for the preparation of hydroxy and amino compounds BCKDK, KHK, HRH1 NPC1 3146/4885L3MBTL1 3911/4885ALDH1A1 305/4885

“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.