SCHEMBL1306267

SCHEMBL1306267

COCC(C)NCC(=Cc1ccc(C(=O)NO)cc1)COc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.55
▸ ALDH1A1 P00352 6/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 1/20 0.41
▸ ADRB2 P07550 4/20 0.41
▸ ADRB1 P08588 4/20 0.41
▸ SIGMAR1 Q99720 4/20 0.41
▸ NR2E1 Q9Y466 4/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ HTR2B P41595 3/20 0.41
▸ ADRB3 P13945 3/20 0.41
▸ HTR2A P28223 3/20 0.41
▸ HTR2C P28335 3/20 0.41
▸ HTR6 P50406 3/20 0.41
▸ HTR1B P28222 3/20 0.41
▸ SCN1A P35498 2/20 0.41
▸ SLC10A1 Q14973 2/20 0.41

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
SCHEMBL1306263 1.00 P2RX3 (0.55) P2RX3ALDH1A1TDP1KDM4EHPGD
SCHEMBL1306259 1.00 P2RX3 (0.55) P2RX3ALDH1A1TDP1KDM4EHPGD
SCHEMBL1306011 0.91 ALDH1A1 (0.47) P2RX3ALDH1A1TDP1KDM4EHPGD
SCHEMBL1306013 0.91 ALDH1A1 (0.47) P2RX3ALDH1A1TDP1KDM4EHPGD
SCHEMBL1306015 0.91 ALDH1A1 (0.47) P2RX3ALDH1A1TDP1KDM4EHPGD
SCHEMBL1306876 0.86 P2RX3 (0.57) P2RX3ALDH1A1TDP1KDM4EHPGD
SCHEMBL1306879 0.86 P2RX3 (0.57) P2RX3ALDH1A1TDP1KDM4EHPGD
SCHEMBL1306873 0.86 P2RX3 (0.57) P2RX3ALDH1A1TDP1KDM4EHPGD
SCHEMBL1305934 0.84 MEN1 (0.46) P2RX3ALDH1A1TDP1KDM4EHPGD
SCHEMBL1305939 0.84 MEN1 (0.46) P2RX3ALDH1A1TDP1KDM4EHPGD

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 8 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 claimed
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 claimed
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 claimed
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 P2RX3 4630/4885ALDH1A1 673/4885TDP1 2037/4885

“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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