SCHEMBL1306250

SCHEMBL1306250

CC1CCCCN1CCCNC(=O)/C(=C/c1ccc(C(=O)NOC2CCCCO2)cc1)COc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ADAMTS4 O75173 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CACNA1G O43497 5/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL1306254 1.00 P2RX3 (0.60) P2RX3ALDH1A1KDM4EGLAGAA
SCHEMBL17043074 0.91 P2RX3 (0.62) P2RX3KDM4EMAPTADAMTS4ADAMTS5
SCHEMBL17043078 0.91 P2RX3 (0.62) P2RX3KDM4EMAPTADAMTS4ADAMTS5
SCHEMBL1306516 0.87 P2RX3 (0.63) P2RX3ALDH1A1KDM4EGAALMNA
SCHEMBL1306515 0.87 P2RX3 (0.63) P2RX3ALDH1A1KDM4EGAALMNA
SCHEMBL17043163 0.87 P2RX3 (0.58) P2RX3ALDH1A1KDM4ELMNAADAMTS4
SCHEMBL3815479 0.87 P2RX3 (0.58) P2RX3ALDH1A1KDM4ELMNAADAMTS4
SCHEMBL1307203 0.86 P2RX3 (0.66) P2RX3ALDH1A1KDM4EGAALMNA
SCHEMBL1307199 0.86 P2RX3 (0.66) P2RX3ALDH1A1KDM4EGAALMNA
SCHEMBL1307077 0.86 SLC2A1 (0.42) P2RX3ALDH1A1KDM4EGLAGAA

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 P2RX3 4630/4885ALDH1A1 673/4885KDM4E 125/4885

“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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