SCHEMBL3988110

SCHEMBL3988110

COc1ccc(Br)cc1[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.45
ADRA1A P35348 2/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44
LPAR1 Q92633 1/20 0.43
LMNA P02545 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL7426724 1.00 ADRA2A (0.45) ADRA2AADRA1ACYP2D6KMT2AMEN1
SCHEMBL16564328 0.85 LPAR1 (0.43) LPAR1LMNAKDM4ETDP1
SCHEMBL3917312 0.84 LPAR1 (0.49) CYP2D6LPAR1LMNAKDM4EALDH1A1
SCHEMBL27885171 0.82 LMNA (0.42) ADRA2AADRA1ACYP2D6MAPK1LPAR1
SCHEMBL23722503 0.81 LMNA (0.41) ADRA2AADRA1ACYP2D6KMT2AMEN1
SCHEMBL6278872 0.81 LMNA (0.41) ADRA2AADRA1ACYP2D6MAPK1LPAR1
SCHEMBL20855486 0.81 CYP2D6 (0.49) ADRA2AADRA1ACYP2D6KMT2AMEN1
SCHEMBL16956830 0.81 LMNA (0.41) ADRA2AADRA1ACYP2D6MAPK1LPAR1
SCHEMBL143912 0.81 CYP2D6 (0.49) ADRA2AADRA1ACYP2D6KMT2AMEN1
SCHEMBL16294121 0.80 GLA (0.42) ADRA2AADRA1AKMT2AMEN1BLM

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 8 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
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP 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
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 WO 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 ADRA2A 3441/4885ADRA1A 1293/4885CYP2D6 352/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 ADRA2A 3441/4885ADRA1A 1293/4885CYP2D6 352/4885

“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.