SCHEMBL1306626

SCHEMBL1306626

COCCN(CC(=Cc1ccc(C(=O)O)cc1)COc1cccc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ DAPK1 P53355 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PIN1 Q13526 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 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
SCHEMBL1306624 1.00 P2RX3 (0.40) P2RX3TSHRALDH1A1HPGDKDM4E
SCHEMBL1306704 1.00 P2RX3 (0.40) P2RX3TSHRALDH1A1HPGDKDM4E
SCHEMBL1305386 0.88 TSHR (0.38) P2RX3TSHRALDH1A1HPGDKDM4E
SCHEMBL1305389 0.88 TSHR (0.38) P2RX3TSHRALDH1A1HPGDKDM4E
SCHEMBL1305391 0.88 TSHR (0.38) P2RX3TSHRALDH1A1HPGDKDM4E
SCHEMBL1308690 0.87 LPAR1 (0.43) P2RX3TSHRMAPTMEN1KMT2A
SCHEMBL1308686 0.87 LPAR1 (0.43) P2RX3TSHRMAPTMEN1KMT2A
SCHEMBL1308692 0.87 LPAR1 (0.43) P2RX3TSHRMAPTMEN1KMT2A
SCHEMBL1306418 0.87 MAPT (0.41) P2RX3TSHRALDH1A1HPGDKDM4E
SCHEMBL1306415 0.87 MAPT (0.41) P2RX3TSHRALDH1A1HPGDKDM4E

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 4630/4885TSHR 4062/4885ALDH1A1 673/4885

“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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