SCHEMBL14436748

SCHEMBL14436748

CC(C)C(=O)C/C=C/C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
GABRR1 P24046 2/20 0.42
GABRR2 P28476 2/20 0.42
BLM P54132 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
LMNA P02545 1/20 0.42
APEX1 P27695 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39

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
SCHEMBL10308363 0.81
SCHEMBL11918302 0.81
SCHEMBL30662330 0.77 TSHR (0.39) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL2619499 0.75
SCHEMBL9326262 0.75
SCHEMBL13226901 0.74 TAS1R3 (0.37) BLMLMNAAPEX1NPSR1TP53
SCHEMBL13703288 0.74 TAS1R3 (0.37) BLMLMNAAPEX1NPSR1TP53
SCHEMBL9475391 0.74 CHRNB2 (0.34)
SCHEMBL12044505 0.73 GRIK1 (0.38) BLMLMNATDP1ALDH1A1CYP2D6
SCHEMBL2611675 0.73 ALDH1A1 (0.31) TSHRTDP1ALDH1A1

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-20070197646-A1 SUBSTITUTED TARAXASTANES USEFUL FOR TREATING VIRAL INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197646-A1 SUBSTITUTED TARAXASTANES USEFUL FOR TREATING VIRAL INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2007-08-23 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-20070197646-A1 SUBSTITUTED TARAXASTANES USEFUL FOR TREATING VIRAL INFECTIONS TARBP1, TSNAX, TARDBP TSHR 3171/4885GABRR1 1841/4885GABRR2 2136/4885

“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.