SCHEMBL1308994

SCHEMBL1308994

CC(C)N1CCC(NC(=O)C(=CCCCCC(=O)NOC2CCCCO2)COc2cccc3ccccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.46
▸ PREP P48147 1/20 0.35
▸ CASP1 P29466 2/20 0.34
▸ CASP3 P42574 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ CASP8 Q14790 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ADAMTS4 O75173 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ BCL2 P10415 1/20 0.32
▸ BCL2L1 Q07817 1/20 0.32
▸ BAD Q92934 1/20 0.32

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
SCHEMBL1308991 1.00 P2RX3 (0.46) P2RX3PREPCASP1CASP3CASP7
SCHEMBL1306395 0.96 P2RX3 (0.47) P2RX3PREPCASP1CASP3CASP7
SCHEMBL1306391 0.96 P2RX3 (0.47) P2RX3PREPCASP1CASP3CASP7
SCHEMBL17043181 0.91 P2RX3 (0.48) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL17043184 0.91 P2RX3 (0.48) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1306086 0.90 P2RX3 (0.46) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1306091 0.90 P2RX3 (0.46) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL2893541 0.89 P2RX3 (0.47) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL2893536 0.89 P2RX3 (0.47) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1306725 0.89 P2RX3 (0.47) P2RX3PREPCASP1CASP3CASP7

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 4630/4885PREP 1557/4885CASP1 2439/4885

“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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