SCHEMBL1307246

SCHEMBL1307246

O=C(CCCCC=C(COc1ccc2ccccc2c1)C(=O)NC1CCN(C2CCCCC2)C1)NOC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ P2RX3 P56373 1/20 0.36
▸ PREP P48147 1/20 0.36
▸ HDAC1 Q13547 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ SIGMAR1 Q99720 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL1307239 1.00 SLC6A5 (0.38) SLC6A5HTTHPGDRAB9AP2RX3
SCHEMBL1305734 0.88 HDAC1 (0.45) SLC6A5HTTHPGDRAB9APREP
SCHEMBL1305731 0.88 HDAC1 (0.45) SLC6A5HTTHPGDRAB9APREP
SCHEMBL29488468 0.88 HDAC1 (0.45) SLC6A5HTTHPGDRAB9APREP
SCHEMBL17043181 0.86 P2RX3 (0.48) P2RX3PREPSIGMAR1ALDH1A1
SCHEMBL17043184 0.86 P2RX3 (0.48) P2RX3PREPSIGMAR1ALDH1A1
SCHEMBL1305319 0.86 HPGD (0.44) SLC6A5HTTHPGDRAB9ATP53
SCHEMBL1305316 0.86 HPGD (0.44) SLC6A5HTTHPGDRAB9ATP53
SCHEMBL1306172 0.85 SIGMAR1 (0.41) SLC6A5HTTHPGDRAB9ATP53
SCHEMBL1306171 0.85 SIGMAR1 (0.41) SLC6A5HTTHPGDRAB9ATP53

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 3 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

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 SLC6A5 4831/4885HTT 1818/4885HPGD 413/4885

“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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