SCHEMBL1307936

SCHEMBL1307936

O=C(NC1CCCCC1)C(=Cc1ccc(C(=O)O)cc1)COc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.51
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ ALDH1A1 P00352 7/20 0.46
▸ DAPK1 P53355 1/20 0.44
▸ PIM3 Q86V86 1/20 0.44
▸ HPGD P15428 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ EPHX1 P07099 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ ADAMTS4 O75173 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ OGG1 O15527 1/20 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
SCHEMBL1307933 1.00 P2RX3 (0.51) P2RX3KMT2AMEN1ALDH1A1DAPK1
SCHEMBL1306159 0.91 P2RX3 (0.50) P2RX3KMT2AMEN1ALDH1A1HPGD
SCHEMBL1306511 0.91 P2RX3 (0.53) P2RX3KMT2AMEN1ALDH1A1HPGD
SCHEMBL1306507 0.91 P2RX3 (0.53) P2RX3KMT2AMEN1ALDH1A1HPGD
SCHEMBL1305888 0.89 P2RX3 (0.48) P2RX3KMT2AMEN1ALDH1A1DAPK1
SCHEMBL1305883 0.89 P2RX3 (0.48) P2RX3KMT2AMEN1ALDH1A1DAPK1
SCHEMBL1306169 0.87 P2RX3 (0.51) P2RX3KMT2AMEN1ALDH1A1DAPK1
SCHEMBL1306160 0.87 KMT2A (0.45) P2RX3KMT2AMEN1ALDH1A1DAPK1
SCHEMBL1306166 0.87 P2RX3 (0.51) P2RX3KMT2AMEN1ALDH1A1DAPK1
SCHEMBL1306642 0.87 P2RX3 (0.46) P2RX3KMT2AMEN1ALDH1A1DAPK1

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 4 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
CN-101573327-A Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RES INST CHEM TECH (KR) 2009-11-04 — — CN 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 4630/4885KMT2A 111/4885MEN1 4379/4885

“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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