SCHEMBL1305917

SCHEMBL1305917

COc1ccc(CCNC(=O)C(=CCCCCC(=O)NOC2CCCCO2)COc2cccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.45
▸ PTPN1 P18031 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ ADAMTS4 O75173 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ PLAAT3 P53816 2/20 0.36
▸ PLAAT5 Q96KN8 2/20 0.36
▸ PLAAT2 Q9NWW9 2/20 0.36
▸ PLAAT4 Q9UL19 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ALOX12 P18054 1/20 0.35

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
SCHEMBL1305915 1.00 P2RX3 (0.45) P2RX3PTPN1HPGDMCL1POLB
SCHEMBL1306257 0.94 P2RX3 (0.46) P2RX3CNR1ADAMTS4ADAMTS5ALDH1A1
SCHEMBL1306255 0.94 P2RX3 (0.46) P2RX3CNR1ADAMTS4ADAMTS5ALDH1A1
SCHEMBL1305514 0.93 P2RX3 (0.46) P2RX3POLBADAMTS4ADAMTS5PLAAT3
SCHEMBL1305889 0.93 P2RX3 (0.46) P2RX3HPGDADAMTS4ADAMTS5PLAAT3
SCHEMBL1305886 0.93 P2RX3 (0.46) P2RX3HPGDADAMTS4ADAMTS5PLAAT3
SCHEMBL1305517 0.93 P2RX3 (0.46) P2RX3POLBADAMTS4ADAMTS5PLAAT3
SCHEMBL1306630 0.89 P2RX3 (0.49) P2RX3HPGDADAMTS4ADAMTS5ALDH1A1
SCHEMBL1306633 0.89 P2RX3 (0.49) P2RX3HPGDADAMTS4ADAMTS5ALDH1A1
SCHEMBL1306586 0.87 P2RX3 (0.46) P2RX3HPGDPOLBALDH1A1LMNA

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 P2RX3 4630/4885PTPN1 2544/4885HPGD 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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