SCHEMBL17124707

SCHEMBL17124707

CC(C)OC(=O)C(C(C)C)C(C(=O)O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
HCAR2 Q8TDS4 1/20 0.37
TP53 P04637 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
SLC7A5 Q01650 1/20 0.33
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL15015930 1.00 TSHR (0.40) TSHRHCAR2TP53MMP1MMP2
SCHEMBL5728799 0.90 TSHR (0.48) TSHRHCAR2PDCD1CD274CA12
SCHEMBL5856841 0.85 TSHR (0.48) TSHRHCAR2PDCD1CD274CA12
SCHEMBL27638248 0.82 TSHR (0.46) TSHRHCAR2CA12CA1CA2
SCHEMBL11764621 0.82 TSHR (0.46) TSHRHCAR2CA12CA1CA2
SCHEMBL20204485 0.79 TSHR (0.39) TSHRHCAR2SMN1; SMN2
SCHEMBL16438180 0.79 TP53 (0.50) TSHRTP53SLC7A5
SCHEMBL659817 0.79 TP53 (0.50) TSHRTP53SLC7A5
SCHEMBL18489590 0.79 MAPT (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL17124702 0.78 SMN1; SMN2 (0.50) TP53SLC7A5CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111185241-B Metal catalyst and preparation method and application thereof 邯郸学院 2022-08-02 CN disclosed
US-20180148524-A1 TACKIFIER COMPOUNDS AND METHODS OF USING THE SAME IOWA STATE UNIV RESEACH FOUNDATION INC (US) 2018-05-31 US disclosed
US-9920145-B2 Tackifier compounds and methods of using the same IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-03-20 US disclosed
US-20170226243-A1 TACKIFIER COMPOUNDS AND METHODS OF USING THE SAME UNIV IOWA STATE RES FOUND INC (US) 2017-08-10 US disclosed
US-9688794-B2 Tackifier compounds and methods of using the same IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2017-06-27 US disclosed
US-20150274861-A1 TACKIFIER COMPOUNDS AND METHODS OF USING THE SAME IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2015-10-01 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-20150274861-A1 TACKIFIER COMPOUNDS AND METHODS OF USING THE SAME ORC3, OR10J3, NR2C2 TSHR 580/4885HCAR2 288/4885TP53 2535/4885

“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.