SCHEMBL6539160

SCHEMBL6539160

[c]1c(OC2CCCCC2)ccc2cc3ccccc3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.38
FAAH O00519 1/20 0.34
EPHX1 P07099 1/20 0.34
MTNR1A P48039 1/20 0.34
PDK2 Q15119 2/20 0.33
MAOB P27338 1/20 0.33
LOX P28300 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
ABL1 P00519 1/20 0.32
PDE9A O76083 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GRM5 P41594 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL2460920 0.86 MCHR1 (0.40) MCHR1FAAHEPHX1MTNR1APDK2
SCHEMBL4820431 0.84 MCHR1 (0.38) MCHR1PDE9AHRH4PDE4ACSNK2A1
SCHEMBL4720777 0.79 KDM4C (0.42) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL4719032 0.77 KDM4C (0.38) NPC1RAB9A
SCHEMBL4896574 0.76 SLC6A2 (0.31)
SCHEMBL4724503 0.76
SCHEMBL4719337 0.75
SCHEMBL4724502 0.74
SCHEMBL4719699 0.73 CYP1B1 (0.35) FAAHEPHX1NPC1L3MBTL1
SCHEMBL4720855 0.73

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
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA MCHR1 485/4885FAAH 4835/4885EPHX1 3974/4885

“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.