SCHEMBL1307185

SCHEMBL1307185

COCC(C)NC/C(=C\CCCCC(=O)NOC1CCCCO1)COc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NR2E1 Q9Y466 4/20 0.36
▸ HTR1B P28222 3/20 0.36
▸ ADAMTS4 O75173 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ OGG1 O15527 1/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ ADRB2 P07550 3/20 0.35
▸ ADRB1 P08588 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ SLC6A4 P31645 3/20 0.35
▸ HTR2B P41595 3/20 0.35
▸ SIGMAR1 Q99720 3/20 0.35
▸ ADRB3 P13945 2/20 0.35
▸ HTR2A P28223 2/20 0.35

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
SCHEMBL1307188 1.00 P2RX3 (0.51) P2RX3ALDH1A1KDM4ENR2E1HTR1B
SCHEMBL1308808 0.88 P2RX3 (0.54) P2RX3ALDH1A1KDM4ENR2E1HTR1B
SCHEMBL1308805 0.88 P2RX3 (0.54) P2RX3ALDH1A1KDM4ENR2E1HTR1B
SCHEMBL1308802 0.88 P2RX3 (0.54) P2RX3ALDH1A1KDM4ENR2E1HTR1B
SCHEMBL1306987 0.88 P2RX3 (0.47) P2RX3ALDH1A1KDM4ENR2E1HTR1B
SCHEMBL1306988 0.88 P2RX3 (0.47) P2RX3ALDH1A1KDM4ENR2E1HTR1B
SCHEMBL1307184 0.86 P2RX3 (0.51) P2RX3ALDH1A1KDM4ENR2E1HTR1B
SCHEMBL3866128 0.84 P2RX3 (0.49) P2RX3ALDH1A1KDM4ENR2E1HTR1B
SCHEMBL3866120 0.84 P2RX3 (0.49) P2RX3ALDH1A1KDM4ENR2E1HTR1B
SCHEMBL3866126 0.84 P2RX3 (0.49) P2RX3ALDH1A1KDM4ENR2E1HTR1B

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 5 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
EP-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 — — EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 — — WO 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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