SCHEMBL25433904

SCHEMBL25433904

C=C(C)C(=O)OCCC1(C(=O)O)CC2C=CC1C2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
TSHR P16473 3/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8613885 0.79 CYP2D6 (0.38) CYP2D6CYP2C19
Oxalic Acid SCHEMBL8080680 0.76 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL32689218 0.76 CYP2D6 (0.41) CYP2D6CYP2C19
SCHEMBL5837479 0.74 CYP2D6 (0.35) TSHRALDH1A1TDP1CYP2D6CYP2C19
SCHEMBL7638350 0.74 CYP2D6 (0.39) CYP2D6CYP2C19
SCHEMBL5837266 0.73 CYP2D6 (0.34) CYP2D6CYP2C19
SCHEMBL350877 0.73 CYP2D6 (0.46) CYP2D6CYP2C19
SCHEMBL32688908 0.72 CYP2D6 (0.38) CYP2D6CYP2C19
SCHEMBL296007 0.72 CYP2D6 (0.31) CYP2D6CYP2C19
SCHEMBL5837608 0.71 TSHR (0.37) TSHRCA2CYP2D6CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416591-A1 DUAL CURE SYSTEM FOR THE CHEMICAL FASTENING OF AN ANCHORING MEANS IN A BOREHOLE HILTI AKTIENGESELLSCHAFT (LI) 2023-12-28 US disclosed
EP-4244271-A1 DUAL CURE SYSTEM FOR CHEMICALLY FASTENING ANCHORING MEANS IN A DRILL HOLE Hilti Aktiengesellschaft (LI) 2023-09-20 EP disclosed
WO-2022101025-A1 DUAL CURE SYSTEM FOR CHEMICALLY FASTENING ANCHORING MEANS IN A DRILL HOLE HILTI AKTIENGESELLSCHAFT (LI) 2022-05-19 WO 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-20230416591-A1 DUAL CURE SYSTEM FOR THE CHEMICAL FASTENING OF AN ANCHORING MEANS IN A BOREHOLE DUOX2, COASY, OSBP THRB 2035/4885TSHR 3353/4885ALDH1A1 2415/4885

“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.