SCHEMBL2845856

SCHEMBL2845856

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nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 3/20 0.73
RELA Q04206 3/20 0.73
PTPN1 P18031 5/20 0.73
TOP2A P11388 2/20 0.73
CES2 O00748 1/20 0.73
CES1 P23141 1/20 0.73
PTGES O14684 2/20 0.61
LMNA P02545 3/20 0.54
NT5E P21589 3/20 0.54
USP2 O75604 2/20 0.54
HIF1A Q16665 2/20 0.54
RORC P51449 3/20 0.53
ALB P02768 2/20 0.53
GPBAR1 Q8TDU6 2/20 0.53
AKR1B10 O60218 1/20 0.53
POLB P06746 1/20 0.53
AKR1B1 P15121 1/20 0.53
DPP4 P27487 1/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53

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
SCHEMBL17124237 1.00 GLI1 (0.73) GLI1RELAPTPN1TOP2ACES2
SCHEMBL17124262 0.89 GLI1 (0.64) GLI1RELAPTPN1TOP2ACES2
Alphitolic Acid SCHEMBL1954405 0.85 GLI1 (1.00) GLI1RELAPTPN1CES2CES1
Lupeol SCHEMBL148518 0.84 PTPN1 (1.00) GLI1RELAPTPN1TOP2ACES2
Lupeol SCHEMBL21847985 0.84 PTPN1 (1.00) GLI1RELAPTPN1TOP2ACES2
Lupeol SCHEMBL7742344 0.84 PTPN1 (1.00) GLI1RELAPTPN1TOP2ACES2
Lupeol SCHEMBL561024 0.84 PTPN1 (1.00) GLI1RELAPTPN1TOP2ACES2
Lupeol SCHEMBL21927816 0.84 PTPN1 (1.00) GLI1RELAPTPN1TOP2ACES2
Lupeol SCHEMBL10061311 0.84 PTPN1 (1.00) GLI1RELAPTPN1TOP2ACES2
Lupeol SCHEMBL18100186 0.84 PTPN1 (1.00) GLI1RELAPTPN1TOP2ACES2

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-20100129302-A1 ANTIMICROBIAL COMPOSITION WITH LOW CYTOTOXICITY OY GRANULA AB LTD (FI) 2010-05-27 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-20100129302-A1 ANTIMICROBIAL COMPOSITION WITH LOW CYTOTOXICITY CUTA, LCT, PYCARD GLI1 4377/4885RELA 1922/4885PTPN1 2442/4885

“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.