SCHEMBL4158002

SCHEMBL4158002

Fc1ccc2c(c1)CCc1ccccc1C2=CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.44
CYP11B2 P19099 11/20 0.41
CYP19A1 P11511 8/20 0.41
CYP11B1 P15538 7/20 0.41
HTR2B P41595 2/20 0.40
SRD5A1 P18405 2/20 0.39
SRD5A2 P31213 1/20 0.39
NR3C2 P08235 1/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC22A1 O15245 1/20 0.37
CACNA1F O60840 1/20 0.37
NTRK1 P04629 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRB2 P07550 1/20 0.37
RET P07949 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
ADRB1 P08588 1/20 0.37

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
SCHEMBL4158001 1.00 MAPK14 (0.44) MAPK14CYP11B2CYP19A1CYP11B1HTR2B
SCHEMBL4045716 0.91 CYP11B2 (0.46) CYP11B2CYP19A1CYP11B1SRD5A1PARP1
SCHEMBL4153615 0.90 PARP1 (0.39) MAPK14HTR2BSRD5A1NR3C2ALDH1A1
SCHEMBL4153618 0.90 PARP1 (0.39) MAPK14HTR2BSRD5A1NR3C2ALDH1A1
SCHEMBL27913341 0.84 SRD5A1 (0.52) MAPK14CYP11B2CYP19A1CYP11B1SRD5A1
SCHEMBL4040169 0.84 CES1 (0.50) CYP11B2CYP19A1CYP11B1HTR2BALDH1A1
SCHEMBL4038027 0.81 MAPK14 (0.48) MAPK14CYP11B2CYP19A1CYP11B1
SCHEMBL4042550 0.81 MAPK14 (0.48) MAPK14CYP11B2CYP19A1CYP11B1
SCHEMBL4038030 0.81 MAPK14 (0.48) MAPK14CYP11B2CYP19A1CYP11B1
SCHEMBL4036595 0.80 HTT (0.44) CYP11B2CYP19A1CYP11B1HTR2BSRD5A1

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 5 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
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 MAPK14 1472/4885CYP11B2 15/4885CYP19A1 44/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 MAPK14 1545/4885CYP11B2 17/4885CYP19A1 44/4885

“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.