SCHEMBL6878720

SCHEMBL6878720

O=CC=Cc1ccc(-c2cnco2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
PKM P14618 3/20 0.51
NOTUM Q6P988 1/20 0.51
GAA P10253 1/20 0.51
PTK2 Q05397 1/20 0.50
KEAP1 Q14145 1/20 0.47
ESR1 P03372 1/20 0.44
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6878713 1.00 LMNA (0.51) LMNAPKMNOTUMGAAPTK2
SCHEMBL1124055 0.82 PKM (0.58) LMNAPKMNOTUMGAAPTK2
SCHEMBL6854088 0.79 PKM (0.55) LMNAPKMNOTUMGAAPTK2
SCHEMBL10768177 0.78 PKM (0.78) LMNAPKMNOTUMGAAPTK2
SCHEMBL6852296 0.75 PKM (0.50) LMNAPKMNOTUMGAAPTK2
SCHEMBL6852294 0.75 PKM (0.50) LMNAPKMNOTUMGAAPTK2
SCHEMBL6709711 0.72 TAAR1 (0.48) LMNAALDH1A1KDM4EMAPTKMT2A
SCHEMBL6653966 0.72 ALDH1A1 (0.48) LMNAALDH1A1KDM4EMAPTCYP2D6
SCHEMBL6653970 0.72 ALDH1A1 (0.48) LMNAALDH1A1KDM4EMAPTCYP2D6
SCHEMBL6756230 0.71 MAPT (0.52) LMNANOTUMALDH1A1KDM4EMAPT

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
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 LMNA 4303/4885PKM 1340/4885NOTUM 2862/4885

“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.