SCHEMBL3266929

SCHEMBL3266929

COC(=O)CCc1ccccc1OCCCBr

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.54
PPARG P37231 3/20 0.46
MAPT P10636 1/20 0.45
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
LTB4R Q15722 2/20 0.43
LTB4R2 Q9NPC1 2/20 0.43
KMT2A Q03164 1/20 0.43
PPARA Q07869 1/20 0.42
DHFR P00374 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
SCHEMBL31155854 1.00 PPARD (0.54) PPARDPPARGMAPTCNR2CNR1
SCHEMBL31155865 0.96 PPARD (0.53) PPARDPPARGMAPTCNR2CNR1
SCHEMBL9119104 0.94 PPARD (0.52) PPARDPPARGMAPTCNR2LTB4R
SCHEMBL31155910 0.94 PPARD (0.54) PPARDPPARGMAPTCNR2CNR1
SCHEMBL31155848 0.93 PPARD (0.52) PPARDPPARGMAPTLTB4RLTB4R2
SCHEMBL9119306 0.89 PPARD (0.52) PPARDPPARGMAPTCNR2CNR1
SCHEMBL9122597 0.88 LTB4R (0.54) PPARDPPARGCNR2CNR1LTB4R
SCHEMBL3140786 0.87 PPARD (0.55) PPARDPPARGMAPTLTB4RLTB4R2
SCHEMBL6697391 0.85 PPARD (0.50) PPARDPPARGMAPT
SCHEMBL15927987 0.84 PPARG (0.60) PPARDPPARGMAPTLTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3546452-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MMV Medicines for Malaria Venture (CH) 2019-10-02 EP disclosed
EP-2194985-B1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MEDICINES FOR MALARIA VENTURE MMV (CH) 2019-02-20 EP disclosed
US-8530491-B2 Antimalarial compounds with flexible side-chains MEDICINES FOR MALARIA VENTURE (MMV) (CH) 2013-09-10 US disclosed
EP-2194985-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS Medicines for Malaria Venture (CH) 2010-06-16 EP disclosed
US-20090099220-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MEDICINES FOR MALARIA VENTURE 2009-04-16 US disclosed
WO-2009048957-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MEDICINES FOR MALARIA VENTURE (CH) 2009-04-16 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-20090099220-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS DHFR, FPGS, DHODH PPARD 3477/4885PPARG 3029/4885MAPT 2302/4885

“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.