SCHEMBL348759

SCHEMBL348759

COC(OC)c1cccc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ACHE P22303 3/20 0.40
KIF11 P52732 1/20 0.39
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35

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
SCHEMBL10005905 0.92 HDAC4 (0.38) HDAC4HDAC2HDAC8ACHEKIF11
SCHEMBL9454249 0.85 CES2 (0.35) HDAC4HDAC2HDAC8ACHEKIF11
SCHEMBL10725583 0.82 IDO1 (0.51) L3MBTL1IDO1TDO2CES2PNMT
SCHEMBL8750571 0.82 HDAC4 (0.39) HDAC4HDAC2HDAC8ACHEKIF11
SCHEMBL21451452 0.81 HDAC8 (0.42) HDAC4HDAC2HDAC8ACHEKIF11
SCHEMBL17864868 0.80 HDAC4 (0.38) HDAC4HDAC8ACHEKMT2A
SCHEMBL598661 0.77 KIF11 (0.49) HDAC4HDAC2HDAC8ACHEKIF11
SCHEMBL475371 0.76 HDAC4 (0.40) HDAC4HDAC2HDAC8ACHEKIF11
Methoxymethane SCHEMBL28022475 0.75 HDAC8 (0.50) HDAC4HDAC2HDAC8ACHEKIF11
SCHEMBL21654175 0.75 HDAC8 (0.47) HDAC4HDAC2HDAC8ACHEKIF11

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411564-B1 ELECTROCHEMICAL PROCESS FOR PRODUCING 3-TERT-BUTYLBENZALDEHYDE-DIMETHYLACETAL BASF SE (DE) 2017-05-10 EP claimed
US-8629304-B2 Electrochemical method for producing 3-tert-butylbenzaldehyde dimethyl acetal BASF SE (DE) 2014-01-14 US claimed
EP-2411564-A1 ELECTROCHEMICAL METHOD FOR PRODUCING 3 TERT.-BUTYL BENZALDEHYDE- DIMETHYLACETAL BASF SE (DE) 2012-02-01 EP claimed
US-20120016162-A1 ELECTROCHEMICAL METHOD FOR PRODUCING 3-TERT-BUTYLBENZALDEHYDE DIMETHYL ACETAL BASF SE (DE) 2012-01-19 US claimed
WO-2010108874-A1 ELECTROCHEMICAL METHOD FOR PRODUCING 3 TERT.-BUTYL BENZALDEHYDE- DIMETHYLACETAL BASF SE (DE) 2010-09-30 WO claimed
EP-2411564-B1 ELECTROCHEMICAL PROCESS FOR PRODUCING 3-TERT-BUTYLBENZALDEHYDE-DIMETHYLACETAL BASF SE (DE) 2017-05-10 EP disclosed
EP-2411564-B1 ELECTROCHEMICAL PROCESS FOR PRODUCING 3-TERT-BUTYLBENZALDEHYDE-DIMETHYLACETAL BASF SE (DE) 2017-05-10 EP disclosed
EP-2616424-B1 METHOD FOR PRODUCING 2-METHYL-3-(4-TERT-BUTYLPHENYL)-PROPANAL HAVING HIGH PARA-ISOMER PURITY BASF SE (DE) 2015-08-26 EP disclosed
US-8629304-B2 Electrochemical method for producing 3-tert-butylbenzaldehyde dimethyl acetal BASF SE (DE) 2014-01-14 US disclosed
US-8629304-B2 Electrochemical method for producing 3-tert-butylbenzaldehyde dimethyl acetal BASF SE (DE) 2014-01-14 US disclosed
US-8629304-B2 Electrochemical method for producing 3-tert-butylbenzaldehyde dimethyl acetal BASF SE (DE) 2014-01-14 US disclosed
US-8629304-B2 Electrochemical method for producing 3-tert-butylbenzaldehyde dimethyl acetal BASF SE (DE) 2014-01-14 US disclosed
EP-2411564-A1 ELECTROCHEMICAL METHOD FOR PRODUCING 3 TERT.-BUTYL BENZALDEHYDE- DIMETHYLACETAL BASF SE (DE) 2012-02-01 EP disclosed
US-20120016162-A1 ELECTROCHEMICAL METHOD FOR PRODUCING 3-TERT-BUTYLBENZALDEHYDE DIMETHYL ACETAL BASF SE (DE) 2012-01-19 US disclosed
US-20120016162-A1 ELECTROCHEMICAL METHOD FOR PRODUCING 3-TERT-BUTYLBENZALDEHYDE DIMETHYL ACETAL BASF SE (DE) 2012-01-19 US disclosed
US-20120016162-A1 ELECTROCHEMICAL METHOD FOR PRODUCING 3-TERT-BUTYLBENZALDEHYDE DIMETHYL ACETAL BASF SE (DE) 2012-01-19 US disclosed
US-20120016162-A1 ELECTROCHEMICAL METHOD FOR PRODUCING 3-TERT-BUTYLBENZALDEHYDE DIMETHYL ACETAL BASF SE (DE) 2012-01-19 US disclosed
WO-2010108874-A1 ELECTROCHEMICAL METHOD FOR PRODUCING 3 TERT.-BUTYL BENZALDEHYDE- DIMETHYLACETAL BASF SE (DE) 2010-09-30 WO disclosed
WO-2010108874-A1 ELECTROCHEMICAL METHOD FOR PRODUCING 3 TERT.-BUTYL BENZALDEHYDE- DIMETHYLACETAL BASF SE (DE) 2010-09-30 WO disclosed
WO-2010108874-A1 ELECTROCHEMICAL METHOD FOR PRODUCING 3 TERT.-BUTYL BENZALDEHYDE- DIMETHYLACETAL BASF SE (DE) 2010-09-30 WO 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-20120016162-A1 ELECTROCHEMICAL METHOD FOR PRODUCING 3-TERT-BUTYLBENZALDEHYDE DIMETHYL ACETAL TET3, TERT, ALKBH2 HDAC4 832/4885HDAC2 311/4885HDAC8 691/4885

“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.