SCHEMBL3139943

SCHEMBL3139943

COc1ccc(-c2[nH]c3cc(C(=O)O)ccc3c2C2(C(C)(C)C)CCCCC2)c(C=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
FCER2 P06734 1/20 0.35
SYK P43405 1/20 0.35
ERN1 O75460 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MAPT P10636 2/20 0.34
PTPN5 P54829 1/20 0.34
CHEK2 O96017 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MPL P40238 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL50849 0.78 MAPKAPK2 (0.40) KDM4EMAPTPTPN5CHEK2MAPKAPK2
SCHEMBL54971 0.71 ALDH1A1 (0.35) KDM4EERN1MAPTMAPKAPK2MEN1
SCHEMBL3247052 0.70 PARP1 (0.42) KDM4EMAPTMAPKAPK2MEN1KMT2A
SCHEMBL20535956 0.67 KDM4E (0.60) KDM4ECA1CA2MAPTPTPN5
SCHEMBL18661422 0.66 ALDH1A1 (0.37) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL18661472 0.66 ALDH1A1 (0.38) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL50557 0.65 NR1I2 (0.49) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL3139951 0.65 KCNH2 (0.40) KDM4EMAPTMAPKAPK2POLB
SCHEMBL5444969 0.62 KDM4E (0.46) KDM4ECA1CA2MAPTPTPN5
SCHEMBL3242864 0.62 PARP1 (0.45) KDM4EMPLGSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642251-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
US-20090042860-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 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-20090042860-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KDM4E 3736/4885FCER2 2874/4885SYK 3875/4885

“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.