SCHEMBL1305386

SCHEMBL1305386

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ P2RX3 P56373 2/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ DAPK1 P53355 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CYP1A2 P05177 3/20 0.33
▸ ADRB2 P07550 3/20 0.33

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
SCHEMBL1305389 1.00 TSHR (0.38) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL1305391 1.00 TSHR (0.38) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL1306624 0.88 P2RX3 (0.40) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL1306626 0.88 P2RX3 (0.40) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL1306704 0.88 P2RX3 (0.40) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL1306415 0.85 MAPT (0.41) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL1306418 0.85 MAPT (0.41) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL1306412 0.85 MAPT (0.41) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL1306931 0.84 P2RX3 (0.39) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL1306759 0.84 P2RX3 (0.39) TSHRALDH1A1KDM4EHPGDTDP1

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 TSHR 4062/4885ALDH1A1 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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