SCHEMBL1306829

SCHEMBL1306829

O=C(O)CCCCC=C(COc1cccc2ccccc12)C(=O)NC1CCN(C2CCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PREP P48147 2/20 0.39
▸ P2RX3 P56373 2/20 0.38
▸ ACKR3 P25106 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ADAMTS4 O75173 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ SIGMAR1 Q99720 4/20 0.37
▸ OGG1 O15527 1/20 0.36
▸ BCL2 P10415 1/20 0.36
▸ MCL1 Q07820 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
SCHEMBL1306825 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL1306207 0.97 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL1306209 0.97 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL1308080 0.92 SIGMAR1 (0.39) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL1306742 0.92 HDAC1 (0.41) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL1306745 0.92 HDAC1 (0.41) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL1308081 0.92 SIGMAR1 (0.39) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL29488469 0.92 HDAC1 (0.41) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL1308006 0.90 KMT2A (0.48) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL1308003 0.90 KMT2A (0.48) ALDH1A1KDM4EHPGDTDP1KMT2A

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 ALDH1A1 673/4885KDM4E 125/4885HPGD 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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