SCHEMBL12563045

SCHEMBL12563045

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nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.35
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
THRB P10828 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL14462882 0.80 PKM (0.41) PKMKDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL16604342 0.80 PKM (0.43) PKMKDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL14725133 0.80 PKM (0.43) PKMKDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL9194294 0.78 PKM (0.39) PKMKDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL12563055 0.77
SCHEMBL12563075 0.76 CYP4F2 (0.36) PKMKDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL847248 0.75 ALDH1A1 (0.48) PKMKDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL16589248 0.75 MMP8 (0.38) PKMKDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL1537694 0.74 PKM (0.50) PKMKDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL18050454 0.73 ALDH1A1 (0.52) PKMKDM4EALDH1A1CYP4F2CYP4A11

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-8470891-B2 Biodegradable block polymers for drug delivery, and methods related thereto INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-06-25 US disclosed
US-20110152167-A1 BIODEGRADABLE BLOCK POLYMERS FOR DRUG DELIVERY, AND METHODS RELATED THERETO AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-23 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-20110152167-A1 BIODEGRADABLE BLOCK POLYMERS FOR DRUG DELIVERY, AND METHODS RELATED THERETO SAMM50, ADRM1, UFM1 PKM 77/4885KDM4E 2840/4885ALDH1A1 900/4885

“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.