SCHEMBL3370239

SCHEMBL3370239

CCOCCCOc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
LTA4H P09960 3/20 0.59
HTR1B P28222 2/20 0.53
CHRNB2 P17787 2/20 0.52
CHRNB4 P30926 2/20 0.52
CHRNA3 P32297 2/20 0.52
CHRNA7 P36544 2/20 0.52
CHRNA4 P43681 2/20 0.52
RECQL P46063 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL3010867 0.94 KCNA3 (0.67) KCNA3SMN1; SMN2LTA4HHTR1BCHRNB2
SCHEMBL215246 0.89 KCNA3 (0.58) KCNA3SMN1; SMN2LTA4HHTR1BCHRNB2
Water SCHEMBL16581630 0.87 KCNA3 (0.56) KCNA3SMN1; SMN2LTA4HHTR1BCHRNB2
SCHEMBL6555976 0.87 KCNA3 (0.56) KCNA3SMN1; SMN2LTA4HHTR1BCHRNB2
SCHEMBL6558495 0.87 KCNA3 (0.56) KCNA3SMN1; SMN2LTA4HHTR1BCHRNB2
SCHEMBL30693772 0.87 KCNA3 (0.56) KCNA3SMN1; SMN2LTA4HHTR1BCHRNB2
SCHEMBL11137717 0.87 KCNA3 (0.56) KCNA3SMN1; SMN2LTA4HHTR1BCHRNB2
SCHEMBL2844283 0.86 KCNA3 (0.75) KCNA3LTA4HHTR1BRECQLTAAR1
SCHEMBL3369424 0.85 LTA4H (0.62) KCNA3SMN1; SMN2LTA4HHTR1BCHRNB2
SCHEMBL7241377 0.85 LTA4H (0.74) KCNA3SMN1; SMN2LTA4HHTR1BCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2644404-B1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED ARTICLE FUJIFILM CORP (JP) 2017-08-16 EP disclosed
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 US disclosed
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 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 (2 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-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, ALG8, ALG1 KCNA3 1600/4885SMN1; SMN2 3883/4885LTA4H 876/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 KCNA3 2290/4885SMN1; SMN2 3534/4885LTA4H 1125/4885

“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.