SCHEMBL3369424

SCHEMBL3369424

CCCOCCCOc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.62
KCNA3 P22001 1/20 0.60
HTR1B P28222 2/20 0.52
CHRNB2 P17787 2/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNA7 P36544 2/20 0.50
CHRNA4 P43681 2/20 0.50
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
RECQL P46063 2/20 0.50
TSHR P16473 1/20 0.50
MLNR O43193 1/20 0.50
NR1I2 O75469 1/20 0.50
ESR1 P03372 1/20 0.50
NR3C1 P04150 1/20 0.50
PGR P06401 1/20 0.50
ADRB2 P07550 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRB1 P08588 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
SCHEMBL23014861 0.94 KCNA3 (0.64) LTA4HKCNA3HTR1BCHRNB2CHRNB4
SCHEMBL7241377 0.92 LTA4H (0.74) LTA4HKCNA3HTR1BCHRNB2CHRNB4
SCHEMBL3374720 0.89 LTA4H (0.59) LTA4HKCNA3HTR1BCHRNB2CHRNB4
SCHEMBL6560986 0.89 LTA4H (0.59) LTA4HKCNA3HTR1BCHRNB2CHRNB4
SCHEMBL15294291 0.89 LTA4H (0.59) LTA4HKCNA3HTR1BCHRNB2CHRNB4
SCHEMBL29562382 0.89 LTA4H (0.59) LTA4HKCNA3HTR1BCHRNB2CHRNB4
SCHEMBL2844283 0.89 KCNA3 (0.75) LTA4HKCNA3HTR1BDRD2DRD3
Water SCHEMBL4967771 0.88 LTA4H (0.57) LTA4HKCNA3HTR1BCHRNB2CHRNB4
SCHEMBL2484430 0.86 LTA4H (0.71) LTA4HKCNA3HTR1BDRD2DRD3
SCHEMBL2487712 0.86 LTA4H (0.71) LTA4HKCNA3HTR1BDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62205056-A None JP 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
JP-S62205056-A LACTIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME CANON INC 1987-09-09 JP 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 LTA4H 876/4885KCNA3 1600/4885HTR1B 4318/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 LTA4H 1125/4885KCNA3 2290/4885HTR1B 4777/4885

“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.