SCHEMBL13129181

SCHEMBL13129181

CC(C)C1=C(C(=O)O)CNCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
SLC6A1 P30531 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33

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
SCHEMBL10776569 0.74 OPRD1 (0.37) TSHRSLC6A1SLC6A13GABRPGABRD
SCHEMBL12652755 0.74 TSHR (0.36) TSHRSLC6A1SLC6A13GABRPGABRD
SCHEMBL13172036 0.72 PNMT (0.31) PNMT
SCHEMBL5513858 0.71 PKM (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL5513609 0.71 FABP4 (0.34)
SCHEMBL23177729 0.67
SCHEMBL16056884 0.67 TSHR (0.38) TSHRSLC6A1SLC6A13GABRPGABRD
SCHEMBL16939653 0.66 TSHR (0.37) TSHRSLC6A1SLC6A13GABRPGABRD
SCHEMBL13194000 0.64 PNMT (0.31) PNMT
SCHEMBL19106124 0.64 FABP4 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myriad Pharmaceuticals, Inc.. (US) 2010-09-23 US disclosed
US-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myriad Pharmaceuticals, Inc.. (US) 2010-09-23 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-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF HAVCR2, FURIN, SARS1 TSHR 4543/4885SLC6A1 2253/4885SLC6A13 3233/4885

“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.