SCHEMBL4042210

SCHEMBL4042210

COc1cccc(C=C2c3ccccc3CCc3ccccc32)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.69
MAPT P10636 5/20 0.69
MEN1 O00255 4/20 0.69
PKM P14618 2/20 0.69
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
ATM Q13315 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
ALDH1A1 P00352 3/20 0.61
HPGD P15428 3/20 0.61
NR3C1 P04150 1/20 0.54
PGR P06401 1/20 0.54
NR3C2 P08235 1/20 0.54
AR P10275 1/20 0.54
MAOB P27338 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
EGFR P00533 1/20 0.48
USP2 O75604 1/20 0.48
MIF P14174 1/20 0.47
CHRM5 P08912 1/20 0.46

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
SCHEMBL4508952 0.91 MAPT (0.61) KMT2AMAPTMEN1PKMNPC1
SCHEMBL13802663 0.89 MAPT (0.57) KMT2AMAPTMEN1PKMNPC1
SCHEMBL13802662 0.89 MAPT (0.57) KMT2AMAPTMEN1PKMNPC1
SCHEMBL4160839 0.88 MAPT (0.62) KMT2AMAPTMEN1PKMNPC1
SCHEMBL28555168 0.85 KMT2A (0.74) KMT2AMAPTMEN1PKMNPC1
SCHEMBL4150994 0.85 MIF (0.56) KMT2AMAPTMEN1PKMNPC1
SCHEMBL4150992 0.85 MIF (0.56) KMT2AMAPTMEN1PKMNPC1
SCHEMBL4157857 0.84 MAPT (0.55) KMT2AMAPTMEN1PKMNPC1
SCHEMBL4157130 0.83 SMPD1 (0.51) KMT2AMAPTMEN1PKMNPC1
SCHEMBL14092526 0.83 KMT2A (0.52) KMT2AMAPTMEN1PKMNPC1

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 12 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
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP disclosed
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP 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
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 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 (2 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 KMT2A 2460/4885MAPT 3591/4885MEN1 2935/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 KMT2A 2288/4885MAPT 3416/4885MEN1 2716/4885

“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.