SCHEMBL6288066

SCHEMBL6288066

COc1ccc2[nH]c(C)c(CC(=O)N[C@](C)(CN)C(=O)Nc3ccc(C(OC(=O)C(F)(F)F)(c4ccc(NC(=O)[C@@](C)(CN)NC(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)c4ccc(NC(=O)[C@@](C)(CN)NC(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)cc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.46
HDAC1 Q13547 7/20 0.44
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 5/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTR1D P28221 1/20 0.41
HTR6 P50406 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NTRK1 P04629 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL6291017 0.91 AKR1C2 (0.47) AKR1C2HDAC1MEN1KMT2AMAPT
SCHEMBL6290835 0.88 KLK6 (0.41) HDAC1MEN1KMT2AMAPTTDP1
SCHEMBL6290998 0.85 AKR1C2 (0.44) AKR1C2HDAC1MEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL7209556 0.85 AKR1C2 (0.48) AKR1C2HDAC1MEN1KMT2AMAPT
SCHEMBL6290397 0.84 HDAC1 (0.43) AKR1C2HDAC1MEN1KMT2AMAPT
SCHEMBL6290280 0.82 HDAC1 (0.60) AKR1C2HDAC1
SCHEMBL6290560 0.78 KLK6 (0.42) HDAC1MEN1KMT2AMAPTTDP1
SCHEMBL6290305 0.76 AKR1C2 (0.50) AKR1C2HDAC1MEN1KMT2AMAPT
SCHEMBL6288012 0.75 ALDH1A1 (0.43) HDAC1MEN1KMT2AMAPTHTT
SCHEMBL8110763 0.73 AKR1C2 (0.70) AKR1C2HDAC1MEN1KMT2AMAPT

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-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US claimed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US claimed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP claimed
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP 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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK AKR1C2 2816/4885HDAC1 3488/4885MEN1 111/4885

“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.