SCHEMBL3267158

SCHEMBL3267158

CCOC(=O)CCCOc1ccccc1OCCCBr

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
CYSLTR2 Q9NS75 2/20 0.47
CYSLTR1 Q9Y271 2/20 0.47
DHFR P00374 1/20 0.47
USP2 O75604 1/20 0.46
LTA4H P09960 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PDK2 Q15119 1/20 0.44
ESR2 Q92731 1/20 0.44
PTPN1 P18031 1/20 0.44
BRD4 O60885 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL27921658 0.88 LMNA (0.59) TDP1L3MBTL1ALDH1A1ESR2PTPN1
SCHEMBL10737141 0.87 CYP4F2 (0.52) TDP1L3MBTL1CYP4F2CYP4A11CYSLTR2
SCHEMBL9469608 0.86 NPC1 (0.49) TDP1L3MBTL1CYP4F2CYP4A11CYSLTR2
SCHEMBL29213722 0.86 TDP1 (0.64) TDP1USP2ALDH1A1LMNA
SCHEMBL3268399 0.84 JAK2 (0.53) TDP1L3MBTL1CYP4F2CYP4A11CYSLTR2
SCHEMBL27838097 0.84 TBXAS1 (0.58) TDP1L3MBTL1CYP4F2CYP4A11DHFR
SCHEMBL8158473 0.84 HTR1A (0.54) TDP1L3MBTL1LTA4HALDH1A1LMNA
SCHEMBL8955675 0.84 TDP1 (0.51) TDP1L3MBTL1CYSLTR2CYSLTR1DHFR
SCHEMBL8158041 0.84 PPARG (0.58) TDP1L3MBTL1CYP4F2CYP4A11CYSLTR2
SCHEMBL2987183 0.83 CYP1A2 (0.58) TDP1L3MBTL1CYP4F2CYP4A11CYSLTR2

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 TDP1 2135/4885L3MBTL1 420/4885CYP4F2 191/4885

“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.