SCHEMBL5286213

SCHEMBL5286213

CCC(C)c1cc(C(=O)O)on1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.50
GAA P10253 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 3/20 0.36
HCAR3 P49019 1/20 0.36
LMNA P02545 1/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
POLB P06746 1/20 0.35
EPHX2 P34913 1/20 0.35
PTPN1 P18031 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 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
SCHEMBL11927680 0.84 HCAR2 (0.52) HCAR2GAARAB9ANPC1ALDH1A1
SCHEMBL5966686 0.82 HTT (0.46) RAB9ANPC1ALDH1A1LMNAPOLB
SCHEMBL2132318 0.82 HCAR2 (0.57) HCAR2GAAALDH1A1HCAR3LMNA
Hydrochloric Acid SCHEMBL3528376 0.80 HCAR2 (0.55) HCAR2GAAALDH1A1LMNASCD
SCHEMBL13961638 0.79 HCAR2 (0.53) HCAR2GAARAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL2407095 0.77 HCAR2 (0.52) HCAR2GAARAB9AALDH1A1LMNA
SCHEMBL5289527 0.76 SCD (0.31) RAB9ANPC1ALDH1A1LMNASCD
SCHEMBL19556530 0.76 HCAR2 (0.53) HCAR2GAARAB9AALDH1A1LMNA
SCHEMBL13284939 0.73 ALDH1A1 (0.51) GAARAB9ANPC1ALDH1A1LMNA
SCHEMBL13015651 0.73 ALDH1A1 (0.48) GAAALDH1A1LMNASMN1; SMN2KMT2A

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 HCAR2 3637/4885GAA 496/4885RAB9A 20/4885

“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.