SCHEMBL4608770

SCHEMBL4608770

COC(=O)c1cc(C2CCCCC2)cn1CC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR1H2 P55055 1/20 0.33
PDE4B Q07343 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCKBR P32239 1/20 0.32

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
SCHEMBL4610689 0.76 FPR2 (0.38) ALDH1A1KDM4ELMNANR1H2HDAC6
SCHEMBL4598798 0.75 PTGDR2 (0.35) ALDH1A1KDM4ECYP3A4CYP2C19NR1H2
SCHEMBL25219534 0.73 NR1H2 (0.41) ALDH1A1KDM4ENR1H2PDE4BMAPT
SCHEMBL5447286 0.70 POLB (0.36) RXFP1MAPTCCKBR
SCHEMBL15724297 0.68 KDM4E (0.33) ALDH1A1KDM4EHPGDCYP2C19HDAC6
SCHEMBL4610205 0.68 GAA (0.39) ALDH1A1KDM4ELMNANR1H2HDAC6
SCHEMBL2156616 0.68 PTGDR (0.35) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL21427098 0.67 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHDAC6SMN1; SMN2
SCHEMBL2156912 0.66 NR1H4 (0.31) ALDH1A1NPSR1KDM4EHPGD
SCHEMBL14487422 0.66 HDAC6 (0.37) PDE4BHDAC6CCKBR

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-1910337-A2 HETEROARYL DERIVATIVES FOR TREATING VIRUSES GENELABS TECHNOLOGIES, INC. (US) 2008-04-16 EP disclosed
WO-2006138744-A2 HETEROARYL DERIVATIVES FOR TREATING VIRUSES GENELABS TECHNOLOGIES, INC. (US) 2006-12-28 WO disclosed
US-20060293320-A1 Heteroaryl derivatives for treating viruses GENELABS TECHNOLOGIES, INC. 2006-12-28 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-20060293320-A1 Heteroaryl derivatives for treating viruses HAVCR2, MAVS, EIF2AK2 ALDH1A1 2522/4885NPSR1 4023/4885KDM4E 2407/4885

“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.