SCHEMBL2906423

SCHEMBL2906423

O=C(O)CCCC/C=C(\COc1cccc2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TRPV1 Q8NER1 3/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.42
▸ RORC P51449 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ TERT O14746 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ CARM1 Q86X55 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ OGG1 O15527 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ TCF7L2 Q9NQB0 1/20 0.37

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
SCHEMBL2906430 1.00 KDM4E (0.44) KDM4EALDH1A1HPGDTDP1TRPV1
SCHEMBL1306769 0.92 TRPV1 (0.41) KDM4EALDH1A1HPGDTDP1TRPV1
SCHEMBL29488474 0.92 TRPV1 (0.41) KDM4EALDH1A1HPGDTDP1TRPV1
SCHEMBL1306772 0.92 TRPV1 (0.41) KDM4EALDH1A1HPGDTDP1TRPV1
SCHEMBL1306700 0.89 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTDP1ADAMTS5
SCHEMBL1306696 0.89 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTDP1ADAMTS5
SCHEMBL1307897 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDTDP1TRPV1
SCHEMBL1307895 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDTDP1TRPV1
SCHEMBL3834731 0.82 P2RX3 (0.45) ALDH1A1TRPV1ADAMTS5MAPTHTR2C
SCHEMBL1307956 0.81 KDM4E (0.46) KDM4EALDH1A1HPGDTDP1ADAMTS5

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 4 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-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
EP-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 — — EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 — — WO 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 KDM4E 125/4885ALDH1A1 673/4885HPGD 413/4885

“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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