SCHEMBL1307959

SCHEMBL1307959

O=C(O)CCCCC=C(COc1cccc2ccccc12)C(=O)NCCc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PLAAT3 P53816 1/20 0.44
▸ PLAAT5 Q96KN8 1/20 0.44
▸ PLAAT2 Q9NWW9 1/20 0.44
▸ PLAAT4 Q9UL19 1/20 0.44
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ TERT O14746 1/20 0.39
▸ OGG1 O15527 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 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
SCHEMBL1307956 1.00 KDM4E (0.46) KDM4EALDH1A1HPGDTDP1PLAAT3
SCHEMBL1307535 0.93 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTDP1PLAAT3
SCHEMBL1307532 0.93 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTDP1PLAAT3
SCHEMBL1305364 0.91 LMNA (0.42) KDM4EALDH1A1HPGDTDP1PLAAT3
SCHEMBL29488477 0.91 LMNA (0.42) KDM4EALDH1A1HPGDTDP1PLAAT3
SCHEMBL1306595 0.91 CNR2 (0.41) KDM4EALDH1A1HPGDTDP1PLAAT3
SCHEMBL1306593 0.91 CNR2 (0.41) KDM4EALDH1A1HPGDTDP1PLAAT3
SCHEMBL1305361 0.91 LMNA (0.42) KDM4EALDH1A1HPGDTDP1PLAAT3
SCHEMBL1307037 0.90 PTPN1 (0.48) KDM4EALDH1A1HPGDTDP1PLAAT3
SCHEMBL1307035 0.90 PTPN1 (0.48) KDM4EALDH1A1HPGDTDP1PLAAT3

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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