SCHEMBL3665852

SCHEMBL3665852

O=Cc1ccccc1-c1ccco1.O=Cc1ccccc1Oc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
LMNA P02545 2/20 0.64
GAA P10253 1/20 0.64
ALDH1A1 P00352 7/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 3/20 0.42
HPGD P15428 3/20 0.41
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ERN1 O75460 2/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 4/20 0.38
HSD17B10 Q99714 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL610633 0.83 ERN1 (0.49) KMT2ALMNAALDH1A1HTTHPGD
SCHEMBL29361707 0.80 LMNA (1.00) KMT2ALMNAGAAALDH1A1CYP1A2
Benzene SCHEMBL27888748 0.80 LMNA (1.00) KMT2ALMNAGAAALDH1A1CYP1A2
SCHEMBL95238 0.80 LMNA (1.00) KMT2ALMNAGAAALDH1A1CYP1A2
SCHEMBL31241187 0.77 LMNA (0.92) KMT2ALMNAGAAALDH1A1CYP1A2
SCHEMBL97156 0.75 ERN1 (0.46) KMT2ALMNAGAAALDH1A1HTT
SCHEMBL31599176 0.75 LMNA (0.88) KMT2ALMNAGAAALDH1A1CYP1A2
Sulfurous Acid SCHEMBL11210033 0.72 LMNA (0.82) KMT2ALMNAGAAALDH1A1CYP1A2
Sulfurous Acid SCHEMBL11525327 0.71 LMNA (0.79) KMT2ALMNAGAAALDH1A1CYP1A2
SCHEMBL31241184 0.71 LMNA (0.79) KMT2ALMNAGAAALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286147-A1 FUNGICIDAL AMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-11-11 US disclosed
EP-2238133-A2 FUNGICIDAL AMIDES E. I. du Pont de Nemours and Company (US) 2010-10-13 EP disclosed
WO-2009094407-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-30 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-20100286147-A1 FUNGICIDAL AMIDES NAT1, NOX1, CBR1 KMT2A 1216/4885LMNA 3769/4885GAA 358/4885

“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.