SCHEMBL7034720

SCHEMBL7034720

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.52
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC1 Q13547 6/20 0.46
MTNR1B P49286 5/20 0.46
MTNR1A P48039 4/20 0.46
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HTR1D P28221 2/20 0.43
HTR6 P50406 2/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR1E P28566 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
SCHEMBL6284089 0.91 AKR1C2 (0.50) AKR1C2MEN1KMT2AMAPTHTT
SCHEMBL6287524 0.90 AKR1C2 (0.48) AKR1C2MEN1KMT2AMAPTHTT
Hydrochloric Acid SCHEMBL7039786 0.88 AKR1C2 (0.47) AKR1C2MEN1KMT2AMAPTHTT
Hydrochloric Acid SCHEMBL6282711 0.88 AKR1C2 (0.47) AKR1C2MEN1KMT2AMAPTHTT
SCHEMBL6290892 0.87 AKR1C2 (0.46) AKR1C2MEN1KMT2AMAPTHTT
SCHEMBL6290445 0.86 MTNR1A (0.52) AKR1C2MEN1KMT2AMAPTHTT
Trifluoroacetic Acid SCHEMBL6290277 0.85 AKR1C2 (0.46) AKR1C2MEN1KMT2AMAPTHTT
SCHEMBL7040124 0.85 AKR1C2 (0.44) AKR1C2MEN1KMT2AMAPTHTT
SCHEMBL6286746 0.84 MEN1 (0.42) AKR1C2MEN1KMT2AMAPTHTT
SCHEMBL6286858 0.84 MEN1 (0.42) AKR1C2MEN1KMT2AMAPTHTT

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-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 2816/4885MEN1 111/4885KMT2A 2704/4885

“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.