SCHEMBL2893541

SCHEMBL2893541

O=C(CCCCC=C(COc1cccc2ccccc12)C(=O)NC1CCN(C(=O)O)C1)NOC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.36
▸ PREP P48147 2/20 0.36
▸ OGG1 O15527 1/20 0.35
▸ BCL2 P10415 4/20 0.34
▸ BCL2L1 Q07817 3/20 0.34
▸ MCL1 Q07820 3/20 0.34
▸ ADAMTS4 O75173 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ DAPK1 P53355 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HPGD P15428 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
SCHEMBL2893536 1.00 P2RX3 (0.47) P2RX3ALDH1A1PREPOGG1BCL2
SCHEMBL1308075 0.93 P2RX3 (0.47) P2RX3ALDH1A1PREPOGG1BCL2
SCHEMBL1308079 0.93 P2RX3 (0.47) P2RX3ALDH1A1PREPOGG1BCL2
SCHEMBL17043181 0.92 P2RX3 (0.48) P2RX3ALDH1A1PREPOGG1BCL2
SCHEMBL17043184 0.92 P2RX3 (0.48) P2RX3ALDH1A1PREPOGG1BCL2
SCHEMBL1307262 0.90 P2RX3 (0.45) P2RX3HSD17B10
SCHEMBL1307256 0.90 P2RX3 (0.45) P2RX3HSD17B10
SCHEMBL1306091 0.90 P2RX3 (0.46) P2RX3ALDH1A1PREPOGG1BCL2
SCHEMBL1306086 0.90 P2RX3 (0.46) P2RX3ALDH1A1PREPOGG1BCL2
SCHEMBL1306464 0.90 P2RX3 (0.48) P2RX3ALDH1A1PREPOGG1ADAMTS4

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 2 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-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 4630/4885ALDH1A1 673/4885PREP 1557/4885

“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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