SCHEMBL1307305

SCHEMBL1307305

CC(C)(C)OC(=O)N(C/C(=C/c1ccc(C(=O)NOC2CCCCO2)cc1)COc1cccc2ccccc12)Cc1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.62
▸ ALDH1A1 P00352 6/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ TRPM8 Q7Z2W7 2/20 0.32
▸ DAPK1 P53355 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30

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
SCHEMBL1307191 0.88 P2RX3 (0.66) P2RX3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1307315 0.87 P2RX3 (0.66) P2RX3ALDH1A1KMT2AMEN1TGFBR1
SCHEMBL1305720 0.86 P2RX3 (0.70) P2RX3ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL1305459 0.84 P2RX3 (0.60) P2RX3TGFBR1
SCHEMBL1306736 0.84 TRPM8 (0.39) P2RX3ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1306740 0.84 TRPM8 (0.39) P2RX3ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1306741 0.84 TRPM8 (0.39) P2RX3ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1325288 0.82 P2RX3 (0.57) P2RX3ALDH1A1KDM4EKMT2ATGFBR1
SCHEMBL1307306 0.81 P2RX3 (0.53) P2RX3ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1307193 0.80 P2RX3 (0.67) P2RX3ALDH1A1KDM4EKMT2AMEN1

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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