SCHEMBL20868587

SCHEMBL20868587

c1ccc(COc2cc(OCc3ccccc3)cc(-c3cccc4ccccc34)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
GSTP1 P09211 2/20 0.50
MAOB P27338 4/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
P2RY14 Q15391 1/20 0.45
GRM5 P41594 1/20 0.44
C5AR1 P21730 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
BCHE P06276 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL18253174 0.90 GRM5 (0.52) ALOX5GSTP1MAOBPPARGPPARA
SCHEMBL9988703 0.77 P2RY14 (0.51) ALOX5MAOBMEN1KMT2AP2RY14
SCHEMBL4674930 0.77 MEN1 (0.70) ALOX5GSTP1MAOBMEN1KMT2A
SCHEMBL18255817 0.77 CHRNB4 (0.56) PPARGPPARAL3MBTL1CYP2C19
SCHEMBL27628919 0.77 ALOX5 (0.46) ALOX5GSTP1MAOBP2RY14GRM5
SCHEMBL14904227 0.76 MAOB (0.61) ALOX5MAOBKMT2AP2RY14GRM5
SCHEMBL5443961 0.76 IKBKB (0.51) ALOX5MAOBP2RY14CYP3A4MRGPRX4
SCHEMBL4446226 0.74 MRGPRX4 (0.67) P2RY14MRGPRX4RAB9ASMN1; SMN2
SCHEMBL5443950 0.74 ALOX5 (0.43) ALOX5GSTP1MAOBP2RY14GRM5
SCHEMBL19660281 0.74 MAOA (0.51) ALOX5GSTP1MAOBMEN1KMT2A

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-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2019-04-04 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 ALOX5 3097/4885GSTP1 1649/4885MAOB 753/4885

“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.