SCHEMBL19736433

SCHEMBL19736433

COC(=O)CC1=C(C)C(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
HSP90AB1 P08238 1/20 0.36
GAA P10253 4/20 0.35
TP53 P04637 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 3/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MGAM O43451 2/20 0.32
SI P14410 2/20 0.32
MGAM2 Q2M2H8 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL2139646 0.81 HSP90AB1 (0.40) TSHRHSP90AB1GAATP53CYP4F2
SCHEMBL21160122 0.78 TP53 (0.37) TSHRHSP90AB1GAATP53CYP4F2
SCHEMBL11468517 0.72 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTKDM4EHPGD
SCHEMBL2142693 0.72 ALDH1A1 (0.38) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL13331957 0.71 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL12616313 0.71 HSP90AB1 (0.37) TSHRHSP90AB1GAATP53CYP4F2
SCHEMBL4291847 0.70
SCHEMBL2141828 0.68 GAA (0.40) GAASMN1; SMN2ALDH1A1KMT2AHSD17B10
SCHEMBL1783717 0.68
SCHEMBL12616276 0.65 HSP90AB1 (0.36) TSHRHSP90AB1GAATP53CYP4F2

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-20170362155-A1 CIRCULAR ECONOMY METHODS OF PREPARING UNSATURATED COMPOUNDS INTERNATIONAL FLAVORS AND FRAGRANCES INC. 2017-12-21 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-20170362155-A1 CIRCULAR ECONOMY METHODS OF PREPARING UNSATURATED COMPOUNDS FADS1, SCD, FASN TSHR 3871/4885HSP90AB1 3723/4885GAA 1414/4885

“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.