SCHEMBL1308692

SCHEMBL1308692

COc1ccc(CCN(CC(=Cc2ccc(C(=O)O)cc2)COc2cccc3ccccc23)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 9/20 0.43
▸ LPAR5 Q9H1C0 9/20 0.43
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ P2RX3 P56373 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ KARS1 Q15046 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
SCHEMBL1308686 1.00 LPAR1 (0.43) LPAR1LPAR5MEN1KMT2APOLB
SCHEMBL1308690 1.00 LPAR1 (0.43) LPAR1LPAR5MEN1KMT2APOLB
SCHEMBL1306415 0.92 MAPT (0.41) LPAR1LPAR5MEN1KMT2APOLB
SCHEMBL1306412 0.92 MAPT (0.41) LPAR1LPAR5MEN1KMT2APOLB
SCHEMBL1306418 0.92 MAPT (0.41) LPAR1LPAR5MEN1KMT2APOLB
SCHEMBL1306626 0.87 P2RX3 (0.40) MEN1KMT2APOLBMAPTMAPK1
SCHEMBL1306624 0.87 P2RX3 (0.40) MEN1KMT2APOLBMAPTMAPK1
SCHEMBL1306704 0.87 P2RX3 (0.40) MEN1KMT2APOLBMAPTMAPK1
SCHEMBL3832337 0.86 LPAR1 (0.40) LPAR1LPAR5MEN1KMT2APOLB
SCHEMBL1305389 0.84 TSHR (0.38) MEN1KMT2APOLBMAPTMAPK1

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 LPAR1 873/4885LPAR5 943/4885MEN1 4379/4885

“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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