SCHEMBL4160641

SCHEMBL4160641

Nc1cccc(/C=C2\c3ccc(Cl)cc3CCc3sc(Cl)cc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.38
CYP11B1 P15538 6/20 0.38
CYP11B2 P19099 6/20 0.38
AKR1B1 P15121 1/20 0.36
MAOB P27338 3/20 0.34
TYMS P04818 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
HTT P42858 1/20 0.32
MIF P14174 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MAOA P21397 2/20 0.31
SRD5A1 P18405 2/20 0.31
SRD5A2 P31213 1/20 0.31
CYP1A2 P05177 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL4160642 1.00 CYP19A1 (0.38) CYP19A1CYP11B1CYP11B2AKR1B1MAOB
SCHEMBL13801990 0.89 AKR1B1 (0.34) CYP19A1AKR1B1MAOBALDH1A1NR3C1
SCHEMBL4152784 0.88 AR (0.43) CYP19A1CYP11B1CYP11B2AKR1B1MAOB
SCHEMBL4152786 0.88 AR (0.43) CYP19A1CYP11B1CYP11B2AKR1B1MAOB
SCHEMBL8349673 0.86 CYP19A1 (0.38) CYP19A1CYP11B1CYP11B2MAOBALDH1A1
SCHEMBL8348843 0.85 CYP19A1 (0.39) CYP19A1CYP11B1CYP11B2AKR1B1MAOB
SCHEMBL4153165 0.85 CYP19A1 (0.39) CYP19A1CYP11B1CYP11B2AKR1B1MAOB
SCHEMBL4153164 0.85 CYP19A1 (0.39) CYP19A1CYP11B1CYP11B2AKR1B1MAOB
SCHEMBL4156234 0.83 NR3C1 (0.46) CYP19A1CYP11B1CYP11B2MAOBALDH1A1
SCHEMBL4156231 0.83 NR3C1 (0.46) CYP19A1CYP11B1CYP11B2MAOBALDH1A1

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 9 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
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

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 CYP19A1 44/4885CYP11B1 14/4885CYP11B2 15/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 CYP19A1 44/4885CYP11B1 15/4885CYP11B2 17/4885

“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.