SCHEMBL4161850

SCHEMBL4161850

Oc1ccc(/C=C2/c3ccccc3CCc3cc(Cl)ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 8/20 0.51
MAOB P27338 4/20 0.48
CYP26A1 O43174 2/20 0.48
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
LRRK2 Q5S007 1/20 0.45
CYP19A1 P11511 4/20 0.45
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
MAOA P21397 1/20 0.43
HTT P42858 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
SCHEMBL4161852 1.00 MIF (0.51) MIFMAOBCYP26A1PSEN1PSEN2
SCHEMBL4170410 0.91 MIF (0.56) MIFMAOBCYP26A1CYP19A1MAOA
SCHEMBL4170407 0.91 MIF (0.56) MIFMAOBCYP26A1CYP19A1MAOA
SCHEMBL6239187 0.87 MIF (0.64) MIFMAOBCYP26A1CYP19A1CYP11B1
SCHEMBL4156050 0.86 MIF (0.55) MIFMAOBCYP19A1CYP11B1CYP11B2
SCHEMBL8348970 0.86 MIF (0.55) MIFMAOBCYP19A1CYP11B1CYP11B2
SCHEMBL4156051 0.86 MIF (0.55) MIFMAOBCYP19A1CYP11B1CYP11B2
SCHEMBL14092251 0.86 MAOB (0.48) MAOBCYP19A1CYP11B1CYP11B2HTT
SCHEMBL4162515 0.84 CYP19A1 (0.46) MAOBCYP19A1CYP11B1CYP11B2HTT
SCHEMBL4162518 0.84 CYP19A1 (0.46) MAOBCYP19A1CYP11B1CYP11B2HTT

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 3 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-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

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 MIF 1642/4885MAOB 2154/4885CYP26A1 110/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 MIF 1592/4885MAOB 2012/4885CYP26A1 110/4885

“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.