SCHEMBL1305903

SCHEMBL1305903

CC(C)(C)OC(=O)N(C/C(=C\c1ccc(C(=O)O)cc1)COc1cccc2ccccc12)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ADAMTS4 O75173 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DAPK1 P53355 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MRGPRX4 Q96LA9 1/20 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
SCHEMBL1305905 1.00 P2RX3 (0.48) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1308033 1.00 P2RX3 (0.48) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1306362 0.89 P2RX3 (0.43) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1306437 0.89 P2RX3 (0.43) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1306360 0.89 P2RX3 (0.43) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL3833312 0.86 P2RX3 (0.44) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1305720 0.85 P2RX3 (0.70) P2RX3ALDH1A1KDM4EHPGDMAPT
SCHEMBL1306624 0.81 P2RX3 (0.40) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1306704 0.81 P2RX3 (0.40) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1306626 0.81 P2RX3 (0.40) P2RX3ALDH1A1KDM4EHPGDTDP1

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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