SCHEMBL3985950

SCHEMBL3985950

COc1cc(OC)c(CCC2(C3CCCC3)CC(O)=C(Cc3nc(C)cc(=O)[nH]3)C(=O)O2)cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3988500 0.89 MAPK1 (0.34) KDM4EALDH1A1KMT2A
SCHEMBL3988397 0.87 POLB (0.38) KDM4EALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL3992198 0.86 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL3986835 0.85
SCHEMBL3988479 0.84 HTR1A (0.39) KDM4EALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL3986185 0.82 SHMT2 (0.30)
SCHEMBL13939538 0.82 KMT2A (0.35) KDM4EALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL3995421 0.81 HPGD (0.32) ALDH1A1HTTKMT2A
SCHEMBL3991037 0.81 TSHR (0.33) ALDH1A1KMT2A
SCHEMBL3990103 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 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 (2 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-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 KDM4E 1534/4885ALDH1A1 322/4885HTT 4504/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 KDM4E 1534/4885ALDH1A1 322/4885HTT 4504/4885

“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.