SCHEMBL25657907

SCHEMBL25657907

CCC(CO)(CO)COCCCN

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.36
CES1 P23141 1/20 0.32
TSHR P16473 1/20 0.31
ODC1 P11926 1/20 0.31

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
SCHEMBL24195749 0.94 THRB (0.35) CYP3A4THRBCES1TSHR
SCHEMBL15146724 0.87 ODC1 (0.36) CYP3A4ODC1
SCHEMBL6885240 0.87 THRB (0.40) CYP3A4THRBCES1TSHRODC1
SCHEMBL12201021 0.87 CYP3A4 (0.38) CYP3A4THRBCES1TSHRODC1
SCHEMBL8966981 0.83 TSHR (0.38) THRBCES1TSHR
SCHEMBL13039015 0.83 TSHR (0.48) CYP3A4THRBCES1TSHR
SCHEMBL20416501 0.83 CYP3A4 (0.42) CYP3A4THRBCES1TSHR
SCHEMBL8035913 0.83 THRB (0.47) THRB
SCHEMBL8087527 0.82 CYP4F2 (0.39) THRBCES1TSHR
SCHEMBL1248343 0.82 TSHR (0.46) CYP3A4THRBCES1TSHR

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-20230257507-A1 FUNCTIONALIZED THERMOPLASTIC POLYURETHANE, METHOD FOR PRODUCING SAME, METHOD FOR PRODUCING HIGHLY FUNCTIONAL MEDICAL COMPOSITE MATERIAL USING SAME, AND MEDICAL DEVICE INCLUDING SAME I-SENS, INC. (KR) 2023-08-17 US disclosed
EP-4180476-A1 FUNCTIONALIZED THERMOPLASTIC POLYURETHANE, METHOD FOR PRODUCING SAME, METHOD FOR PRODUCING HIGHLY FUNCTIONAL MEDICAL COMPOSITE MATERIAL USING SAME, AND MEDICAL DEVICE INCLUDING SAME I-SENS, INC. (KR) 2023-05-17 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-20230257507-A1 FUNCTIONALIZED THERMOPLASTIC POLYURETHANE, METHOD FOR PRODUCING SAME, METHOD FOR PRODUCING HIGHLY FUNCTIONAL MEDICAL COMPOSITE MATERIAL USING SAME, AND MEDICAL DEVICE INCLUDING SAME NOTUM, PFAS, ESD CYP3A4 1941/4885THRB 4459/4885CES1 1557/4885

“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.