SCHEMBL1306364

SCHEMBL1306364

CCN(CC)CCCNCC(=CCCCC(C)C(=O)O)COc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.41
HTR1B P28222 3/20 0.40
HTR1D P28221 1/20 0.40
OGG1 O15527 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1306363 1.00 TSHR (0.41) TSHRKDM4EALDH1A1HPGDTDP1
SCHEMBL2892941 0.88 ALDH1A1 (0.42) TSHRKDM4EALDH1A1HPGDTDP1
SCHEMBL1306675 0.86 KDM4E (0.44) TSHRKDM4EALDH1A1HPGDTDP1
SCHEMBL1306396 0.85 TSHR (0.43) TSHRKDM4EALDH1A1HPGDTDP1
SCHEMBL1306397 0.85 TSHR (0.43) TSHRKDM4EALDH1A1HPGDTDP1
SCHEMBL1306150 0.84 TSHR (0.43) TSHRKDM4EALDH1A1HPGDTDP1
SCHEMBL1306145 0.84 TSHR (0.43) TSHRKDM4EALDH1A1HPGDTDP1
SCHEMBL1306151 0.84 TSHR (0.43) TSHRKDM4EALDH1A1HPGDTDP1
SCHEMBL1306149 0.83 KMT2A (0.43) TSHRKDM4EALDH1A1HPGDTDP1
SCHEMBL1306369 0.82 TDP1 (0.43) KDM4EALDH1A1HPGDTDP1KMT2A

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 5 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
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 TSHR 4062/4885KDM4E 125/4885ALDH1A1 673/4885

“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.