SCHEMBL6400097

SCHEMBL6400097

CC1CC(=O)OC(=O)CC1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.42
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
CRBN Q96SW2 1/20 0.33
CTRC Q99895 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
PPM1B O75688 1/20 0.31
LMNA P02545 1/20 0.31
PPP1CC P36873 1/20 0.31
TFPI2 P48307 1/20 0.31
RAB9A P51151 1/20 0.31
PPP5C P53041 1/20 0.31
PPP1CA P62136 1/20 0.31
PMP22 Q01453 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 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
SCHEMBL287040 0.81
Ethane SCHEMBL4627940 0.79 SMN1; SMN2 (0.46) SMN1; SMN2TSHRCA1CA9CRBN
SCHEMBL8870956 0.78 SMN1; SMN2 (0.40) SMN1; SMN2TSHRCA1CA9
SCHEMBL11867631 0.75
SCHEMBL11955386 0.73 TSHR (0.47) SMN1; SMN2TSHRCTRCKDM4EGMNN
SCHEMBL442642 0.71 ALDH1A1 (0.36) SMN1; SMN2TSHRLMNA
SCHEMBL2474875 0.71 TSHR (0.46) SMN1; SMN2TSHRCA1CA9CRBN
SCHEMBL14420270 0.71
SCHEMBL10200718 0.71
SCHEMBL14420274 0.71

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-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK SMN1; SMN2 4713/4885TSHR 3882/4885CA1 4830/4885

“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.