SCHEMBL1307083

SCHEMBL1307083

CC1CCCCN1CCCNC(=O)C(=Cc1ccc(C(=O)O)cc1)COc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.42
▸ SCN1A P35498 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ P2RX3 P56373 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ACKR3 P25106 1/20 0.40
▸ ADAMTS4 O75173 1/20 0.40
▸ ADAMTS5 Q9UNA0 1/20 0.40

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
SCHEMBL1307077 1.00 SLC2A1 (0.42) SLC2A1SCN1ASCN2ASCN3ALMNA
SCHEMBL1306651 0.93 SCN1A (0.43) SLC2A1SCN1ASCN2ASCN3ALMNA
SCHEMBL1306652 0.90 LMNA (0.43) SLC2A1SCN1ASCN2ASCN3ALMNA
SCHEMBL2891106 0.87 TDP1 (0.47) P2RX3MAPTKDM4EHSD17B10
SCHEMBL2891102 0.87 TDP1 (0.47) P2RX3MAPTKDM4EHSD17B10
SCHEMBL1306250 0.86 P2RX3 (0.60) SLC2A1LMNATP53P2RX3MAPT
SCHEMBL1306254 0.86 P2RX3 (0.60) SLC2A1LMNATP53P2RX3MAPT
SCHEMBL1305643 0.85 SCN1A (0.44) SLC2A1SCN1ASCN2ASCN3ALMNA
SCHEMBL1305646 0.83 LMNA (0.42) SLC2A1LMNATP53P2RX3MAPT
SCHEMBL1305641 0.83 LMNA (0.42) SLC2A1LMNATP53P2RX3MAPT

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 SLC2A1 3757/4885SCN1A 3309/4885SCN2A 3049/4885

“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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