SCHEMBL1306374

SCHEMBL1306374

CC(C)(C)OC(=O)N(CCCn1ccnc1)C/C(=C/c1ccc(C(=O)O)cc1)COc1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ TBXAS1 P24557 5/20 0.40
▸ NAMPT P43490 5/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PIN1 Q13526 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 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
SCHEMBL1306380 1.00 FNTA (0.40) FNTAFNTBTBXAS1NAMPTCASP1
SCHEMBL1306377 1.00 FNTA (0.40) FNTAFNTBTBXAS1NAMPTCASP1
SCHEMBL3832634 0.86 L3MBTL1 (0.38) FNTAFNTBTBXAS1NAMPTCASP1
SCHEMBL1325288 0.85 P2RX3 (0.57) NAMPTCASP1ALDH1A1PKML3MBTL1
SCHEMBL1306704 0.82 P2RX3 (0.40) ALDH1A1L3MBTL1PIN1KDM4EKMT2A
SCHEMBL1306626 0.82 P2RX3 (0.40) ALDH1A1L3MBTL1PIN1KDM4EKMT2A
SCHEMBL1306624 0.82 P2RX3 (0.40) ALDH1A1L3MBTL1PIN1KDM4EKMT2A
SCHEMBL1305389 0.81 TSHR (0.38) ALDH1A1PIN1KDM4EKMT2AMEN1
SCHEMBL1305391 0.81 TSHR (0.38) ALDH1A1PIN1KDM4EKMT2AMEN1
SCHEMBL1305386 0.81 TSHR (0.38) ALDH1A1PIN1KDM4EKMT2AMEN1

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 FNTA 1783/4885FNTB 747/4885TBXAS1 3017/4885

“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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