SCHEMBL1307322

SCHEMBL1307322

O=C(O)CCCC/C=C(\COc1cccc2ccccc12)C(=O)NC1CCN(Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.54
▸ SIGMAR1 Q99720 2/20 0.47
▸ DRD4 P21917 6/20 0.45
▸ GCGR P47871 1/20 0.45
▸ DRD2 P14416 5/20 0.45
▸ BACE1 P56817 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CCR3 P51677 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ CCR2 P41597 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL1307324 1.00 P2RX3 (0.54) P2RX3SIGMAR1DRD4GCGRDRD2
SCHEMBL29488484 0.93 P2RX3 (0.55) P2RX3SIGMAR1DRD4GCGRDRD2
SCHEMBL1307946 0.93 P2RX3 (0.52) P2RX3SIGMAR1DRD4GCGRDRD2
SCHEMBL1305012 0.93 P2RX3 (0.55) P2RX3SIGMAR1DRD4GCGRDRD2
SCHEMBL1305009 0.93 P2RX3 (0.55) P2RX3SIGMAR1DRD4GCGRDRD2
SCHEMBL1307948 0.93 P2RX3 (0.52) P2RX3SIGMAR1DRD4GCGRDRD2
SCHEMBL1306806 0.91 P2RX3 (0.44) P2RX3SIGMAR1DRD4GCGRDRD2
SCHEMBL1306804 0.91 P2RX3 (0.44) P2RX3SIGMAR1DRD4GCGRDRD2
SCHEMBL1306621 0.88 P2RX3 (0.42) P2RX3DRD4DRD2KDM4EALDH1A1
SCHEMBL1306629 0.88 P2RX3 (0.42) P2RX3DRD4DRD2KDM4EALDH1A1

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 4630/4885SIGMAR1 3734/4885DRD4 4337/4885

“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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