SCHEMBL1307117

SCHEMBL1307117

CC1CCCCN1CCCNCC(=CCCCCC(=O)O)COc1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.43
▸ SCN1A P35498 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CXCR4 P61073 6/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL1307114 1.00 SLC2A1 (0.43) SLC2A1SCN1ASCN2ASCN3AMEN1
SCHEMBL1307112 1.00 SLC2A1 (0.43) SLC2A1SCN1ASCN2ASCN3AMEN1
SCHEMBL1306007 0.93 SLC2A1 (0.42) SLC2A1SCN1ASCN2ASCN3AMEN1
SCHEMBL1306009 0.93 SLC2A1 (0.42) SLC2A1SCN1ASCN2ASCN3AMEN1
SCHEMBL1306358 0.92 SLC2A1 (0.40) SLC2A1SCN1ASCN2ASCN3AMEN1
SCHEMBL1306356 0.92 SLC2A1 (0.40) SLC2A1SCN1ASCN2ASCN3AMEN1
SCHEMBL1306355 0.92 SLC2A1 (0.40) SLC2A1SCN1ASCN2ASCN3AMEN1
SCHEMBL1306010 0.89 SLC2A1 (0.41) SLC2A1SCN1ASCN2ASCN3AMEN1
SCHEMBL1306320 0.86 P2RX3 (0.49) SLC2A1MEN1KMT2ACXCR4ALDH1A1
SCHEMBL1306322 0.86 P2RX3 (0.49) SLC2A1MEN1KMT2ACXCR4ALDH1A1

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 SLC2A1 3757/4885SCN1A 3309/4885SCN2A 3049/4885

“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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