SCHEMBL1305638

SCHEMBL1305638

O=C(NCCCN1CCOCC1)/C(=C/c1ccc(C(=O)O)cc1)COc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.51
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42

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
SCHEMBL1305640 1.00 MAPT (0.51) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL2891102 0.92 TDP1 (0.47) MAPTPOLBSMN1; SMN2KDM4EKMT2A
SCHEMBL2891106 0.92 TDP1 (0.47) MAPTPOLBSMN1; SMN2KDM4EKMT2A
SCHEMBL1305681 0.92 MAPT (0.49) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL1305680 0.92 MAPT (0.49) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL1305476 0.92 MAPT (0.49) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL1305479 0.89 MAPT (0.47) MAPTPOLBLMNASMN1; SMN2KMT2A
SCHEMBL2895802 0.84 KDM4E (0.46) LMNASMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL2895798 0.84 KDM4E (0.46) LMNASMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL1306574 0.84 TDP1 (0.46) MAPTKDM4EHTTCNR1

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 MAPT 2919/4885POLB 626/4885LMNA 1637/4885

“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.

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