SCHEMBL1306549

SCHEMBL1306549

COC(=O)c1ccc(C=C(CNCCc2ccc(OC)cc2)COc2cccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
PTPN1 P18031 1/20 0.44
P2RX3 P56373 2/20 0.44
HPGD P15428 2/20 0.42
MCL1 Q07820 1/20 0.42
MAPT P10636 4/20 0.41
ADRB3 P13945 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL1306547 1.00 KMT2A (0.46) KMT2AMEN1PTPN1P2RX3HPGD
SCHEMBL1306842 0.91 P2RX3 (0.54) KMT2AMEN1PTPN1P2RX3HPGD
SCHEMBL1306835 0.91 P2RX3 (0.54) KMT2AMEN1PTPN1P2RX3HPGD
SCHEMBL1306838 0.91 P2RX3 (0.54) KMT2AMEN1PTPN1P2RX3HPGD
SCHEMBL1306833 0.85 P2RX3 (0.47) KMT2AMEN1P2RX3HPGDMAPT
SCHEMBL1306832 0.85 P2RX3 (0.47) KMT2AMEN1P2RX3HPGDMAPT
SCHEMBL1306831 0.85 P2RX3 (0.47) KMT2AMEN1P2RX3HPGDMAPT
SCHEMBL5795713 0.85 MAPT (0.46) KMT2AP2RX3HPGDMAPTALDH1A1
SCHEMBL1307099 0.84 PTPN1 (0.48) KMT2AMEN1PTPN1HPGDMCL1
SCHEMBL1306387 0.83 KMT2A (0.48) KMT2AMEN1P2RX3HPGDMAPT

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
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 US disclosed
EP-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 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-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 KMT2A 111/4885MEN1 4379/4885PTPN1 2544/4885

“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.