SCHEMBL4598798

SCHEMBL4598798

COC(=O)c1cc(C2CCCCC2)c(Br)n1CC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.35
PTGDR Q13258 2/20 0.35
TSHR P16473 4/20 0.33
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 2/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 2/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MAPK8 P45983 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
OPRK1 P41145 1/20 0.32
NR1H2 P55055 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 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
SCHEMBL2156912 0.75 NR1H4 (0.31) TSHRALDH1A1MAPK1HSD17B10TP53
SCHEMBL4608770 0.75 ALDH1A1 (0.33) PTGDR2PTGDRALDH1A1NR1H2KDM4E
SCHEMBL391724 0.74 ALDH1A1 (0.41) TSHRALDH1A1ALOX15HTTMAPK1
SCHEMBL5442350 0.73 JAK2 (0.38) ALDH1A1UCHL1USP30OPRK1KDM4E
SCHEMBL5442593 0.72 CDK5 (0.36) ALDH1A1MAPK8NR1H2KDM4EPOLB
SCHEMBL2157499 0.69 KDM4E (0.34) PTGDR2PTGDRTSHRALDH1A1HSD17B10
SCHEMBL3098417 0.68 ALDH1A1 (0.37) ALDH1A1ALOX15HSD17B10KDM4ECYP3A4
SCHEMBL4610689 0.67 FPR2 (0.38) ALDH1A1MTNR1AMTNR1BNR1H2KDM4E
SCHEMBL14277672 0.67 ALDH1A1 (0.39) TSHRALDH1A1ALOX15HTTMAPK1
SCHEMBL5447286 0.67 POLB (0.36) POLBKMT2A

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 PTGDR2 4654/4885PTGDR 4482/4885TSHR 4561/4885

“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.