SCHEMBL1306804

SCHEMBL1306804

CCN1CCC(NC(=O)/C(=C/CCCCC(=O)O)COc2cccc3ccccc23)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.37
▸ OGG1 O15527 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ DRD4 P21917 3/20 0.37
▸ PREP P48147 2/20 0.37
▸ GCGR P47871 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTR7 P34969 2/20 0.36

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
SCHEMBL1306806 1.00 P2RX3 (0.44) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1306723 0.95 KDM4E (0.43) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1306726 0.95 KDM4E (0.43) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1307079 0.93 P2RX3 (0.42) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1307082 0.93 P2RX3 (0.42) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1306531 0.92 P2RX3 (0.44) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1306538 0.92 P2RX3 (0.44) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL29488459 0.92 P2RX3 (0.44) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1307324 0.91 P2RX3 (0.54) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1307322 0.91 P2RX3 (0.54) P2RX3KDM4EALDH1A1HPGDTDP1

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 4630/4885KDM4E 125/4885ALDH1A1 673/4885

“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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