SCHEMBL14010073

SCHEMBL14010073

CC(=O)Oc1cccc(C)c1CC(C)(C)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.48
ACHE P22303 2/20 0.42
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.40
PTGS2 P35354 6/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
TSHR P16473 1/20 0.39
GGT1 P19440 1/20 0.39
PTGS1 P23219 1/20 0.39
BLM P54132 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL14010069 0.81 INPPL1 (0.42) PTPN1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL6016708 0.79 PTPN1 (0.54) PTPN1ACHEKDM4EHSD17B10ALDH1A1
SCHEMBL5583332 0.78 PTPN1 (0.53) PTPN1ACHEKDM4EHSD17B10ALDH1A1
SCHEMBL21719032 0.72 PTPN1 (0.50) PTPN1ACHEKDM4EHSD17B10ALDH1A1
SCHEMBL27496747 0.71 PTGS2 (0.50) PTPN1ACHEKDM4EHSD17B10ALDH1A1
SCHEMBL31229899 0.71 ACHE (0.62) PTPN1ACHEKDM4EHSD17B10ALDH1A1
SCHEMBL742810 0.71 ACHE (0.62) PTPN1ACHEKDM4EHSD17B10ALDH1A1
SCHEMBL18178995 0.71 PTPN1 (0.49) PTPN1ACHEKDM4EHSD17B10ALDH1A1
SCHEMBL30179347 0.70 PTGS2 (0.59) PTPN1ACHEKDM4EHSD17B10ALDH1A1
SCHEMBL172737 0.70 PTGS2 (0.59) PTPN1ACHEKDM4EHSD17B10ALDH1A1

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-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 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-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS PTPN1 293/4885ACHE 3008/4885KDM4E 3645/4885

“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.