SCHEMBL4163391

SCHEMBL4163391

COc1cccc(C=C2c3ccccc3CCc3ccccc32)c1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAOB P27338 2/20 0.55
RAB9A P51151 2/20 0.55
PLA2G1B P04054 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
NFE2L2 Q16236 6/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE4B Q07343 1/20 0.44
MIF P14174 1/20 0.43
PTGS2 P35354 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
SCHEMBL4164482 0.88 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2RAB9APLA2G1B
SCHEMBL4163584 0.84 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2MAOBRAB9A
SCHEMBL6962654 0.82 MAPT (0.81) ALDH1A1MAPTSMN1; SMN2MAOBRAB9A
SCHEMBL4158016 0.75 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2MAOBRAB9A
SCHEMBL4163664 0.75 MAPT (0.68) ALDH1A1MAPTSMN1; SMN2MAOBRAB9A
SCHEMBL4159194 0.74 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2MAOBRAB9A
SCHEMBL4157916 0.74 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2RAB9APLA2G1B
SCHEMBL3568956 0.73 NPC1 (0.61) ALDH1A1MAPTSMN1; SMN2MAOBRAB9A
SCHEMBL13343860 0.73 NPC1 (0.61) ALDH1A1MAPTSMN1; SMN2MAOBRAB9A
SCHEMBL13343864 0.73 NPC1 (0.61) ALDH1A1MAPTSMN1; SMN2MAOBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 ALDH1A1 1812/4885MAPT 3591/4885SMN1; SMN2 4708/4885

“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.