SCHEMBL6310041

SCHEMBL6310041

O=C(OCc1ccc(Oc2ccccc2)cc1)C(CSc1ccccn1)C(O)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGB6 P18564 1/20 0.38
PSMB5 P28074 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
POLB P06746 1/20 0.37
ADRB1 P08588 4/20 0.37
ADRB3 P13945 4/20 0.37
ADRB2 P07550 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NAMPT P43490 1/20 0.37
TSHR P16473 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6308945 0.89 LMNA (0.40) LMNAKMT2ATDP1PSMB5ADRB1
SCHEMBL6308396 0.84 NPSR1 (0.47) LMNAKMT2ANPC1RAB9AALDH1A1
SCHEMBL6310823 0.82 ADRB3 (0.38) LMNAKMT2ATDP1PSMB5POLB
SCHEMBL6511048 0.80 ALDH1A1 (0.45) LMNAKMT2ATDP1POLBNPC1
SCHEMBL3066645 0.80 KCNA5 (0.43) FFAR1FFAR4MAPT
SCHEMBL6394358 0.80 PSMB5 (0.48) LMNAKMT2ATDP1PSMB5ADRB1
SCHEMBL3069625 0.80 LMNA (0.45) LMNAKMT2ATDP1PSMB5ADRB1
SCHEMBL6508441 0.74 MEN1 (0.46) LMNAKMT2ANPC1RAB9AALDH1A1
SCHEMBL6316387 0.73 LMNA (0.45) LMNAKMT2ATDP1PSMB5ADRB1
SCHEMBL3081201 0.73 TSHR (0.46) LMNAKMT2ATDP1PSMB5ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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

“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.