SCHEMBL966448

SCHEMBL966448

COc1ccc(C2(O)COc3cc(OCc4ccccc4)ccc3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
MAOB P27338 8/20 0.46
MAOA P21397 4/20 0.46
HTR2B P41595 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
S1PR5 Q9H228 2/20 0.43
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
GRM5 P41594 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6850499 0.75 ALOX15 (0.49) RIPK1LMNAALDH1A1HPGDRELA
SCHEMBL12502194 0.73 MAOB (0.68) MAOBMAOAHTR2BTMEM97SIGMAR1
SCHEMBL281853 0.71 MAOB (0.57) MAOBMAOAHTR2BTMEM97SIGMAR1
SCHEMBL9748619 0.71 MAOB (0.69) MAOBMAOACA2CA5AHRH3
SCHEMBL16179215 0.70 LMNA (0.54) MAOBMAOALMNANPC1RAB9A
SCHEMBL5851952 0.70 KDM1A (0.54) MAOBMAOAHRH3NPC1RAB9A
SCHEMBL11716170 0.70 RIPK1 (0.45) RIPK1MAOBMAOALMNANPC1
SCHEMBL12469960 0.70 MAOB (0.67) MAOBMAOACA2CA5AHRH3
SCHEMBL501806 0.69 ALDH1A1 (0.41) MAOBHTR2BSIGMAR1LMNANPC1
SCHEMBL21326806 0.69 MAOB (0.51) MAOBMAOACA2CA5AHRH3

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-7875736-B2 catalytic metathesis ring closing; 1,4-benzyloxy-2-hydroxybenzaldehyde reacts with mixture of methyl triphenyl phosphonium bromide and potassium tert-butoxide, followed by reaction with 2-bromo-4'-methoxyacetophenone KAOHSIUNG MEDICAL UNIVERSITY (TW) 2011-01-25 US disclosed
US-20100298582-A1 Intermediate Compounds and Processes for the Preparation of 7-benzyloxy-3-(4-methoxyphenyl)-2H-1-benzopyran KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-25 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-20100298582-A1 Intermediate Compounds and Processes for the Preparation of 7-benzyloxy-3-(4-methoxyphenyl)-2H-1-benzopyran CYP11B1, CYP2E1, CYP1B1 RIPK1 3111/4885MAOB 80/4885MAOA 100/4885

“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.