SCHEMBL1307306

SCHEMBL1307306

CC(C)(C)C(=C(COc1cccc2ccccc12)CN(Cc1cccs1)C(=O)O)c1ccc(C(=O)NOC2CCCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ DAPK1 P53355 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ TRPM8 Q7Z2W7 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PREP P48147 1/20 0.33
▸ ADAMTS4 O75173 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ OGG1 O15527 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
SCHEMBL1308967 0.84 P2RX3 (0.51) P2RX3ALDH1A1KDM4EDAPK1PIM3
SCHEMBL1307305 0.81 P2RX3 (0.62) P2RX3ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1307193 0.73 P2RX3 (0.67) P2RX3ALDH1A1KDM4EDAPK1PIM3
SCHEMBL1307318 0.72 P2RX3 (0.66) P2RX3ALDH1A1KDM4EDAPK1PIM3
SCHEMBL3873620 0.71 P2RX3 (0.64) P2RX3ALDH1A1KDM4EDAPK1PIM3
SCHEMBL1305717 0.71 P2RX3 (0.69) P2RX3ALDH1A1KDM4EDAPK1PIM3
SCHEMBL1305722 0.71 P2RX3 (0.69) P2RX3ALDH1A1KDM4EDAPK1PIM3
SCHEMBL1307194 0.70 P2RX3 (0.67) P2RX3ALDH1A1KDM4EDAPK1PIM3
SCHEMBL1305462 0.70 P2RX3 (0.62) P2RX3ALDH1A1KDM4EDAPK1PIM3
SCHEMBL3820913 0.70 P2RX3 (0.66) P2RX3ALDH1A1DAPK1PIM3KMT2A

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 4630/4885ALDH1A1 673/4885KDM4E 125/4885

“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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