SCHEMBL5899809

SCHEMBL5899809

COc1cccc(Oc2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)O)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.61
LMNA P02545 3/20 0.60
ALDH1A1 P00352 8/20 0.54
THRB P10828 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
NLRP3 Q96P20 1/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ATM Q13315 1/20 0.47
SNCA P37840 1/20 0.46
KCNK3 O14649 1/20 0.46

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
SCHEMBL5899810 1.00 PGR (0.61) PGRLMNAALDH1A1THRBCYP3A4
SCHEMBL5899811 1.00 PGR (0.61) PGRLMNAALDH1A1THRBCYP3A4
SCHEMBL5896366 0.91 LMNA (0.70) PGRLMNAALDH1A1THRBCYP3A4
SCHEMBL5896358 0.91 LMNA (0.70) PGRLMNAALDH1A1THRBCYP3A4
SCHEMBL5896350 0.91 LMNA (0.70) PGRLMNAALDH1A1THRBCYP3A4
SCHEMBL5896931 0.89 ALDH1A1 (0.61) PGRLMNAALDH1A1THRBCYP3A4
SCHEMBL5896916 0.89 ALDH1A1 (0.61) PGRLMNAALDH1A1THRBCYP3A4
SCHEMBL5896926 0.89 ALDH1A1 (0.61) PGRLMNAALDH1A1THRBCYP3A4
SCHEMBL5895673 0.86 LMNA (0.57) PGRLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL5895684 0.86 LMNA (0.57) PGRLMNAALDH1A1CYP2C9CYP2C19

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-7041690-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC (US) 2006-05-09 US disclosed
US-20060004063-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC 2006-01-05 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-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI PGR 3778/4885LMNA 4047/4885ALDH1A1 1400/4885

“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.