SCHEMBL5896045

SCHEMBL5896045

COc1cc(COc2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)O)cc2)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
LMNA P02545 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 3/20 0.47
ATM Q13315 2/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 2/20 0.47
MAOB P27338 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 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
SCHEMBL5896057 1.00 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2ACYP3A4
SCHEMBL5896067 1.00 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2ACYP3A4
SCHEMBL5895422 0.92 SPHK2 (0.53) ALDH1A1LMNAMEN1KMT2ACYP3A4
SCHEMBL5895427 0.92 SPHK2 (0.53) ALDH1A1LMNAMEN1KMT2ACYP3A4
SCHEMBL5895406 0.92 SPHK2 (0.53) ALDH1A1LMNAMEN1KMT2ACYP3A4
SCHEMBL5896470 0.87 RAB9A (0.58) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL5896453 0.87 RAB9A (0.58) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL5896461 0.87 RAB9A (0.58) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL5895698 0.85 MAPT (0.57) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL5895711 0.85 MAPT (0.57) ALDH1A1LMNAMEN1KMT2ARAB9A

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 ALDH1A1 1400/4885LMNA 4047/4885MEN1 4861/4885

“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.