SCHEMBL2402134

SCHEMBL2402134

O=C(O)c1ccc(CCCCCCCCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.68
RARB P10826 6/20 0.66
MAPT P10636 2/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
RARA P10276 1/20 0.66
MTOR P42345 1/20 0.66
KMT2A Q03164 1/20 0.66
PLA2G4B P0C869 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
HDAC8 Q9BY41 2/20 0.59
PTGER1 P34995 1/20 0.58
PTGER4 P35408 1/20 0.58
PTGER3 P43115 1/20 0.58
PTGER2 P43116 1/20 0.58
DPP4 P27487 1/20 0.56
HDAC3 O15379 1/20 0.55
MAPK1 P28482 1/20 0.55
ADRA1A P35348 1/20 0.55
HDAC4 P56524 1/20 0.55

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
SCHEMBL2743520 1.00 HDAC1 (0.68) HDAC1RARBMAPTMEN1ALDH1A1
SCHEMBL1980515 0.98 RARB (0.65) HDAC1RARBMAPTMEN1ALDH1A1
SCHEMBL1982703 0.94 HDAC8 (0.67) HDAC1RARBMAPTMEN1ALDH1A1
SCHEMBL28873230 0.94 RARB (0.72) HDAC1RARBMAPTMEN1ALDH1A1
SCHEMBL9472454 0.94 RARB (0.72) HDAC1RARBMAPTMEN1ALDH1A1
SCHEMBL30053056 0.94 RARB (0.72) HDAC1RARBMAPTMEN1ALDH1A1
SCHEMBL15583704 0.94 RARB (0.72) HDAC1RARBMAPTMEN1ALDH1A1
SCHEMBL371605 0.91 RARB (0.71) HDAC1RARBMAPTMEN1ALDH1A1
SCHEMBL1926270 0.89 HDAC1 (0.64) HDAC1RARBALDH1A1HDAC8
SCHEMBL8894364 0.89 HDAC1 (0.64) HDAC1RARBALDH1A1HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244929-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS MERCK SHARP & DOHME CORP. 2013-09-19 US disclosed
EP-2544702-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
WO-2011112441-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS MERCK SHARP & DOHME CORP. (US) 2011-09-15 WO 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-20130244929-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS SPPL2B, ENGASE, PEPD HDAC1 2256/4885RARB 3433/4885MAPT 4483/4885

“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.