SCHEMBL20088141

SCHEMBL20088141

CCC1OC(OC(C)=O)C(C)C(C)C1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TSHR P16473 1/20 0.33
▸ NR3C1 P04150 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ LMNA P02545 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
SCHEMBL2622777 1.00 OGA (0.35) OGACYP2D6THRBHSD17B10TSHR
SCHEMBL11940363 1.00 OGA (0.35) OGACYP2D6THRBHSD17B10TSHR
SCHEMBL12222443 0.98 CYP2D6 (0.36) OGACYP2D6THRBHSD17B10TSHR
SCHEMBL17932952 0.86 CYP2D6 (0.39) OGACYP2D6THRBHSD17B10TSHR
SCHEMBL15102102 0.86 THRB (0.33) OGACYP2D6THRBHSD17B10TSHR
SCHEMBL12378498 0.86 OGA (0.40) OGACYP2D6THRBHSD17B10TSHR
SCHEMBL12308552 0.86 OGA (0.40) OGACYP2D6THRBHSD17B10TSHR
SCHEMBL10028972 0.86 OGA (0.40) OGACYP2D6THRBHSD17B10TSHR
SCHEMBL14478874 0.86 OGA (0.40) OGACYP2D6THRBHSD17B10TSHR
SCHEMBL15982003 0.86 OGA (0.40) OGACYP2D6THRBHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180110872-A1 MULTI-ARM LINKERS FOR CONSTRUCTING PHARMACEUTICAL MOLECULES Immunwork Inc. (TW) 2018-04-26 — — 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-20180110872-A1 MULTI-ARM LINKERS FOR CONSTRUCTING PHARMACEUTICAL MOLECULES HAVCR2, PLK1, ILK OGA 665/4885CYP2D6 3698/4885THRB 3892/4885

“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.

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