SCHEMBL19730192

SCHEMBL19730192

COC(=O)C1CC=CC[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
NPSR1 Q6W5P4 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
POLB P06746 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
PRNP P04156 1/20 0.44
MAPK10 P53779 1/20 0.44
KMT2A Q03164 1/20 0.44
GRM4 Q14833 1/20 0.43
SHMT2 P34897 1/20 0.42

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
SCHEMBL417370 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1RXFP1POLBKDM4E
SCHEMBL5823247 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1RXFP1POLBKDM4E
SCHEMBL418463 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1RXFP1POLBKDM4E
SCHEMBL3739039 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1RXFP1POLBKDM4E
SCHEMBL5768836 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1RXFP1POLBKDM4E
SCHEMBL8246813 0.91 GAA (0.41) ALDH1A1NPSR1RXFP1POLBHSD17B10
SCHEMBL418068 0.91 GAA (0.41) ALDH1A1NPSR1RXFP1POLBHSD17B10
SCHEMBL9308973 0.91 GAA (0.41) ALDH1A1NPSR1RXFP1POLBHSD17B10
SCHEMBL13198671 0.91 GAA (0.41) ALDH1A1NPSR1RXFP1POLBHSD17B10
SCHEMBL418070 0.91 GAA (0.41) ALDH1A1NPSR1RXFP1POLBHSD17B10

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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, 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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 ALDH1A1 531/4885NPSR1 944/4885RXFP1 153/4885

“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.