SCHEMBL1306723

SCHEMBL1306723

CCN1CCC(NC(=O)/C(=C/CCCCC(=O)O)COc2cccc3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ P2RX3 P56373 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.40
▸ DRD4 P21917 4/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CCR8 P51685 1/20 0.38
▸ PREP P48147 2/20 0.38

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
SCHEMBL1306726 1.00 KDM4E (0.43) KDM4EALDH1A1HPGDTDP1P2RX3
SCHEMBL1306804 0.95 P2RX3 (0.44) KDM4EALDH1A1HPGDTDP1P2RX3
SCHEMBL1306806 0.95 P2RX3 (0.44) KDM4EALDH1A1HPGDTDP1P2RX3
SCHEMBL1307233 0.92 KDM4E (0.40) KDM4EALDH1A1HPGDTDP1P2RX3
SCHEMBL1307230 0.92 KDM4E (0.40) KDM4EALDH1A1HPGDTDP1P2RX3
SCHEMBL1306218 0.92 P2RX3 (0.42) KDM4EALDH1A1HPGDTDP1P2RX3
SCHEMBL29488471 0.92 P2RX3 (0.42) KDM4EALDH1A1HPGDTDP1P2RX3
SCHEMBL1306220 0.92 P2RX3 (0.42) KDM4EALDH1A1HPGDTDP1P2RX3
SCHEMBL1306271 0.89 ALDH1A1 (0.43) KDM4EALDH1A1HPGDTDP1P2RX3
SCHEMBL1306268 0.89 ALDH1A1 (0.43) KDM4EALDH1A1HPGDTDP1P2RX3

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 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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