SCHEMBL20098899

SCHEMBL20098899

CC(C)(C)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.56
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NR4A2 P43354 2/20 0.50
▸ NR4A1 P22736 1/20 0.50
▸ NR4A3 Q92570 1/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ APP P05067 1/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ CYP1A1 P04798 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ RXRA P19793 1/20 0.47

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
SCHEMBL14191885 0.90 GRM5 (0.52) MAOBMEN1KMT2ANR4A2NR4A1
SCHEMBL78171 0.86 MAOB (0.62) MAOBNR4A2NR4A1NR4A3ALOX5
SCHEMBL4674930 0.84 MEN1 (0.70) MAOBMEN1KMT2ANR4A2NR4A1
SCHEMBL419050 0.83 APP (0.69) MAOBMEN1KMT2ANR4A2NR4A1
SCHEMBL9631198 0.83 MEN1 (0.53) MAOBMEN1KMT2AALOX5CYP1A2
SCHEMBL2034775 0.82 CYP1A1 (0.64) MAOBMEN1KMT2AALOX5CYP1A2
SCHEMBL5164170 0.82 MEN1 (0.51) MAOBMEN1KMT2ANR4A2NR4A1
SCHEMBL25465505 0.82 PDGFRB (0.46) MAOBNR4A2NR4A1NR4A3ALOX5
Formaldehyde SCHEMBL27492762 0.82 NR4A2 (0.58) MAOBNR4A2NR4A1NR4A3ALOX5
SCHEMBL1834526 0.80 CYP1A2 (0.67) MAOBMEN1KMT2ANR4A2NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2019-04-04 — — US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 — — 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-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC MAOB 753/4885MEN1 3311/4885KMT2A 1523/4885

“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.

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