SCHEMBL3069625

SCHEMBL3069625

O=C(OCc1ccc(Oc2ccccc2)cc1)C(c1ccccc1)C(O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NAMPT P43490 1/20 0.43
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
ADRB1 P08588 4/20 0.41
ADRB3 P13945 4/20 0.41
NPY5R Q15761 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
PSMB5 P28074 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KCNA5 P22460 1/20 0.40
GFER P55789 1/20 0.40
ADRB2 P07550 1/20 0.40
GRM2 Q14416 1/20 0.40
TSHR P16473 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL6394358 0.88 PSMB5 (0.48) LMNAKMT2ATDP1NAMPTTP53
SCHEMBL3081201 0.88 TSHR (0.46) LMNAKMT2ATDP1NAMPTTP53
SCHEMBL3068944 0.85 RAB9A (0.45) LMNAKMT2ATDP1NAMPTTP53
SCHEMBL6308945 0.82 LMNA (0.40) LMNAKMT2ATDP1NAMPTTP53
SCHEMBL6316387 0.81 LMNA (0.45) LMNAKMT2ATDP1NAMPTTP53
SCHEMBL6310041 0.80 LMNA (0.38) LMNAKMT2ATDP1NAMPTTP53
SCHEMBL3103554 0.80 LMNA (0.43) LMNAKMT2ATDP1NAMPTTP53
SCHEMBL6316393 0.79 LMNA (0.50) LMNAKMT2ATDP1NAMPTTP53
SCHEMBL3062239 0.77 FFAR1 (0.47) LMNAKMT2ATDP1KCNA5
SCHEMBL6310823 0.75 ADRB3 (0.38) LMNAKMT2ATDP1TP53ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 US claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO disclosed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 US 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR LMNA 3281/4885KMT2A 1213/4885TDP1 2709/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 LMNA 516/4885KMT2A 4299/4885TDP1 1816/4885

“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.