SCHEMBL17124705

SCHEMBL17124705

COC(=O)CC(C(C)C)C(CC(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
PRKCA P17252 2/20 0.38
HSD17B10 Q99714 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
KCNA5 P22460 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL28291057 0.86 PRKCA (0.47) TSHRPRKCAHSD17B10MGAMGAA
SCHEMBL17124712 0.81 PRKCA (0.44) TSHRPRKCAMMP1MMP2MMP3
SCHEMBL765893 0.78 SLC22A6 (0.45) TSHRPRKCASLC22A6MAPTCACNA2D1
SCHEMBL12268201 0.77 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL148546 0.77 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL286783 0.77 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL28704878 0.76 SLC22A6 (0.43) TSHRPRKCASLC22A6MAPTCACNA2D1
(R)-3-Hydroxybutanoate SCHEMBL29048487 0.76 TSHR (0.41) TSHRHSD17B10MGAMGAASI
SCHEMBL28861626 0.76 TSHR (0.41) TSHRHSD17B10MGAMGAASI
SCHEMBL4290966 0.75 TSHR (0.44) TSHRHSD17B10MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148524-A1 TACKIFIER COMPOUNDS AND METHODS OF USING THE SAME IOWA STATE UNIV RESEACH FOUNDATION INC (US) 2018-05-31 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 580/4885PRKCA 4872/4885HSD17B10 584/4885

“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.