SCHEMBL1306826

SCHEMBL1306826

CCN1CCC(NC/C(=C\c2ccc(C(=O)O)cc2)COc2cccc3ccccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.67
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DAPK1 P53355 1/20 0.40
PIM3 Q86V86 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CASR P41180 3/20 0.38

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
SCHEMBL1308213 1.00 P2RX3 (0.67) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1306828 1.00 P2RX3 (0.67) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1307354 0.95 P2RX3 (0.72) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1307046 0.95 P2RX3 (0.72) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1307048 0.95 P2RX3 (0.72) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1306529 0.92 P2RX3 (0.77) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1306527 0.92 P2RX3 (0.77) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1306524 0.92 P2RX3 (0.77) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1307045 0.89 P2RX3 (0.62) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1307047 0.89 P2RX3 (0.62) P2RX3ALDH1A1KDM4EHPGDTDP1

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.