SCHEMBL5289527

SCHEMBL5289527

CCC(C)c1cc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)on1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.31
SCD5 Q86SK9 1/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
CYP2D6 P10635 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 2/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.30
SMPD1 P17405 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL5966687 0.86 SMN1; SMN2 (0.40) SCDSCD5ALDH1A1SMN1; SMN2HTT
SCHEMBL5966686 0.81 HTT (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL5286375 0.77 EPHX2 (0.35) SMN1; SMN2NPC1RAB9AL3MBTL1LMNA
SCHEMBL5287519 0.77 RAB9A (0.34) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5286213 0.76 HCAR2 (0.50) SCDSCD5ALDH1A1SMN1; SMN2NPC1
SCHEMBL5298423 0.75 PPARA (0.35) SMN1; SMN2NPC1RAB9AHTTL3MBTL1
SCHEMBL5283326 0.73 PPARA (0.41) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL5966739 0.71 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL5286514 0.69 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL22435531 0.69 ALDH1A1 (0.30) ALDH1A1LMNA

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 SCD 4220/4885SCD5 3715/4885ALDH1A1 2972/4885

“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.