SCHEMBL2228147

SCHEMBL2228147

CC(C)(C)Oc1nc(Cl)cc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 3/20 0.36
KIF11 P52732 1/20 0.35
HPGD P15428 2/20 0.34
BCDIN3D Q7Z5W3 1/20 0.33
BTK Q06187 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 2/20 0.32
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL30803676 1.00 L3MBTL1 (0.36) L3MBTL1KDM4EKIF11HPGDBCDIN3D
SCHEMBL4272069 0.81 KDM4E (0.37) KDM4EKIF11HPGDBCDIN3DBTK
SCHEMBL161865 0.80 BTK (0.48) L3MBTL1KDM4EBTKMAPTALDH1A1
SCHEMBL29200755 0.79 TRPA1 (0.34) KDM4EMAPTALDH1A1CYP1A2MEN1
SCHEMBL13409332 0.76 BTK (0.51) L3MBTL1KDM4EBCDIN3DBTKMAPT
SCHEMBL13757434 0.74 BTK (0.41) L3MBTL1HPGDBCDIN3DBTKMAPT
SCHEMBL14663947 0.73 L3MBTL1 (0.39) L3MBTL1KDM4EMAPTALDH1A1HSD17B10
SCHEMBL18913911 0.72 KDM4E (0.45) L3MBTL1KDM4EMAPTALDH1A1HTT
SCHEMBL4268450 0.71 CYP2A6 (0.50) KDM4EMAPTALDH1A1HSD17B10CYP2A6
SCHEMBL2229817 0.71 CYP1A2 (0.37) KDM4EKIF11ALDH1A1HSD17B10CYP1A2

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-2516058-B1 HYDROFORMYLATION PROCESS LYONDELL CHEMICAL TECH LP (US) 2013-12-18 EP disclosed
EP-2516058-A2 HYDROFORMYLATION PROCESS Lyondell Chemical Technology, L.P. (US) 2012-10-31 EP disclosed
WO-2011084268-A2 HYDROFORMYLATION PROCESS LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2011-07-14 WO disclosed
US-7790932-B1 Hydroformylation process LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2010-09-07 US disclosed
US-7049473-B2 Hydroformylation BASF AKTIENGESELLSCHAFT (DE) 2006-05-23 US disclosed
EP-1486481-A2 Hydroformylation process BASF AKTIENGESELLSCHAFT (DE) 2004-12-15 EP disclosed
US-20040199024-A1 Using catalyst containing transition metal and ligand; reacting carbon monoxide and hydrogen BASF AKTIENGESELLSCHAFT (DE) 2004-10-07 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-20040199024-A1 Using catalyst containing transition metal and ligand; reacting carbon monoxide and hydrogen NUDT1, PPIP5K2, HAO2 L3MBTL1 2717/4885KDM4E 3889/4885KIF11 4434/4885

“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.