SCHEMBL6807260

SCHEMBL6807260

CCc1cc(C(C)=O)c(OCc2ccccc2)cc1OCCCCl

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.60
MAOB P27338 2/20 0.49
PDE5A O76074 5/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LTB4R Q15722 3/20 0.45
LTB4R2 Q9NPC1 2/20 0.45

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
SCHEMBL8585279 0.84 NR1H4 (0.47) NR1H4MAOBPDE5ALTB4R
SCHEMBL8581492 0.82 HTR1A (0.51) NR1H4MAPTSMN1; SMN2L3MBTL1
SCHEMBL6807773 0.81 NR1H4 (0.47) NR1H4MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL26158672 0.81 MAOB (0.55) NR1H4MAOBMAPTCYP2C9CYP2C19
SCHEMBL6899767 0.80 NR1H4 (0.46) NR1H4LTB4RLTB4R2
SCHEMBL8582404 0.80 NR1H4 (0.46) NR1H4MAOBMAPTSMN1; SMN2TDP1
SCHEMBL2942741 0.79 MAOB (0.52) NR1H4MAOBPDE5AMAPTCYP2C9
SCHEMBL16482745 0.78 CYP3A4 (0.56) NR1H4MAPTL3MBTL1LTB4RLTB4R2
SCHEMBL9046839 0.78 ALOX5 (0.46) MAOBMAPTSMN1; SMN2L3MBTL1
SCHEMBL384030 0.78 MAOB (0.57) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2

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
US-20040198779-A1 Heterocycle substituted diphenyl leukotriene antagonists SAWYER JASON SCOTT (US) 2004-10-07 US disclosed
US-6797723-B1 Heterocycle substituted diphenyl leukotriene antagonists ELI LILLY AND COMPANY 2004-09-28 US disclosed
EP-1263743-A1 HETEROCYCLE SUBSTITUTED DIPHENYL LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-12-11 EP disclosed
WO-2001034197-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034580-A1 HETEROCYCLE SUBSTITUTED DIPHENYL LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 2001-05-17 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-20040198779-A1 Heterocycle substituted diphenyl leukotriene antagonists LTB4R, LTB4R2, LTA4H NR1H4 233/4885MAOB 667/4885PDE5A 2473/4885

“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.