SCHEMBL1308028

SCHEMBL1308028

CC(C)(C)OC(=O)N1CCC(NCC(=Cc2ccc(C(=O)O)cc2)COc2cccc3ccccc23)C1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.61
USP30 Q70CQ3 4/20 0.41
HTR6 P50406 3/20 0.40
BRD4 O60885 1/20 0.39
BCHE P06276 2/20 0.39
CASR P41180 3/20 0.38
BTK Q06187 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
SCN9A Q15858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
CCR8 P51685 1/20 0.37

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
SCHEMBL1308026 1.00 P2RX3 (0.61) P2RX3USP30HTR6BRD4BCHE
SCHEMBL1308027 1.00 P2RX3 (0.61) P2RX3USP30HTR6BRD4BCHE
SCHEMBL1309133 0.94 P2RX3 (0.59) P2RX3USP30HTR6BRD4BCHE
SCHEMBL1307186 0.92 P2RX3 (0.70) P2RX3USP30HTR6BRD4KDM4E
SCHEMBL1306813 0.86 P2RX3 (0.75) P2RX3USP30HTR6BRD4BCHE
SCHEMBL1307059 0.85 P2RX3 (0.62) P2RX3CASRKDM4EALDH1A1HPGD
SCHEMBL1307058 0.85 P2RX3 (0.62) P2RX3CASRKDM4EALDH1A1HPGD
SCHEMBL1307120 0.85 P2RX3 (0.62) P2RX3CASRKDM4EALDH1A1HPGD
SCHEMBL1307046 0.85 P2RX3 (0.72) P2RX3CASRKDM4EALDH1A1HPGD
SCHEMBL1307354 0.85 P2RX3 (0.72) P2RX3CASRKDM4EALDH1A1HPGD

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 4630/4885USP30 1244/4885HTR6 2394/4885

“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.