SCHEMBL1306294

SCHEMBL1306294

COC(=O)c1ccc(C=C(CBr)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
NOTUM Q6P988 1/20 0.40
PTPN1 P18031 1/20 0.40
MAPT P10636 6/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
NPC1 O15118 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 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
SCHEMBL1306293 1.00 ALDH1A1 (0.46) ALDH1A1CA1CA2NOTUMPTPN1
Benzoic Acid SCHEMBL5808846 0.92 TSHR (0.43) ALDH1A1CA1CA2MAPTLMNA
SCHEMBL6734561 0.87 ALDH1A1 (0.53) ALDH1A1CA1CA2PTPN1MAPT
SCHEMBL6734560 0.87 ALDH1A1 (0.53) ALDH1A1CA1CA2PTPN1MAPT
SCHEMBL6734564 0.87 ALDH1A1 (0.53) ALDH1A1CA1CA2PTPN1MAPT
SCHEMBL7316708 0.83 ALDH1A1 (0.51) ALDH1A1CA1CA2NOTUMPTPN1
SCHEMBL7316713 0.83 ALDH1A1 (0.51) ALDH1A1CA1CA2NOTUMPTPN1
SCHEMBL5822229 0.80 MAPT (0.51) ALDH1A1CA1CA2PTPN1MAPT
SCHEMBL5824078 0.78 MAPT (0.44) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL3813626 0.78 NPC1 (0.52) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2

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 4 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
WO-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 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 ALDH1A1 673/4885CA1 3779/4885CA2 3452/4885

“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.