SCHEMBL4159725

SCHEMBL4159725

FC(F)Oc1ccc(C=C2c3ccccc3CCc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
HSP90AA1 P07900 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TLR9 Q9NR96 1/20 0.46
MAPT P10636 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALOX15 P16050 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
DRD1 P21728 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PKM P14618 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
SCHEMBL4162365 0.84 MAPT (0.48) ALDH1A1KDM4EHTTHSP90AA1GAA
SCHEMBL4157130 0.80 SMPD1 (0.51) ALDH1A1KDM4EHTTHPGDMAPT
SCHEMBL4157843 0.80 NR3C1 (0.42) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL13802226 0.77 PARP1 (0.50) NR3C1PGRNR3C2ARCYP19A1
SCHEMBL4159205 0.76 DRD1 (0.43) ALDH1A1KDM4EHTTGAANPSR1
SCHEMBL4157456 0.74 CYP19A1 (0.46) ALDH1A1MAPTPKMNR3C1PGR
SCHEMBL4153920 0.74 ERBB2 (0.46) HTTMAPTNPC1RAB9ADRD1
SCHEMBL6239187 0.74 MIF (0.64) GAAMEN1KMT2ANR3C1PGR
SCHEMBL4163879 0.74 HTR6 (0.46) HTTMAPTNPC1RAB9ADRD1
SCHEMBL4158887 0.74 MAOB (0.49) ALDH1A1KDM4EMAPTNPC1RAB9A

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
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
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 ALDH1A1 1812/4885KDM4E 3196/4885HTT 3630/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 ALDH1A1 1728/4885KDM4E 3207/4885HTT 3508/4885

“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.