SCHEMBL4444338

SCHEMBL4444338

COCOc1ccc([C@H]2CC(=O)c3ccccc3O2)c(OCOC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.57
MAOB P27338 3/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ROR1 Q01973 1/20 0.53
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
AR P10275 3/20 0.48
ADORA3 P0DMS8 2/20 0.48
AXL P30530 1/20 0.48
HSD11B1 P28845 1/20 0.48
AKR1C3 P42330 1/20 0.48
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 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
SCHEMBL4444327 1.00 CYP19A1 (0.57) CYP19A1MAOBMAPTNPC1RAB9A
SCHEMBL25437506 0.82 MAOB (0.74) CYP19A1MAOBMAPTNPC1RAB9A
SCHEMBL25435378 0.80 MAOB (0.56) CYP19A1MAOBMAPTNPC1RAB9A
SCHEMBL8093202 0.76 CYP19A1 (0.74) CYP19A1MAOBMAPTNPC1RAB9A
SCHEMBL8093207 0.76 CYP19A1 (0.74) CYP19A1MAOBMAPTNPC1RAB9A
SCHEMBL4444342 0.76 ROR1 (0.43) CYP19A1MAOBROR1KDM4EALDH1A1
SCHEMBL13708477 0.74 ROR1 (0.82) CYP19A1MAOBNPC1RAB9AROR1
SCHEMBL22465359 0.72 ROR1 (0.61) CYP19A1ROR1KDM4EHSD17B10ALDH1A1
SCHEMBL7032379 0.72 CYP19A1 (0.74) CYP19A1MAOBMAPTNPC1RAB9A
SCHEMBL7032375 0.72 CYP19A1 (0.74) CYP19A1MAOBMAPTNPC1RAB9A

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-20090221568-A1 Synthesis of Inhibitors of FtsZ NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-03 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-20090221568-A1 Synthesis of Inhibitors of FtsZ CDC42, CCNB1, CDC20 CYP19A1 3079/4885MAOB 3443/4885MAPT 1355/4885

“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.