SCHEMBL4522727

SCHEMBL4522727

BrC=C1c2ccccc2Oc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TOP1 P11387 1/20 0.40
TOP2A P11388 1/20 0.40
STK17B O94768 3/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
SETD7 Q8WTS6 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL868008 0.76 CYP19A1 (0.41) MAPK1KDM4EATMMAOACYP1A2
SCHEMBL10005481 0.76 MAPK1 (0.43) MAPK1KDM4EATMMAOAMAOB
SCHEMBL4999007 0.76 HTR2B (0.55) MAPK1KDM4EMAOAMAOBCYP1A2
SCHEMBL4999010 0.76 HTR2B (0.55) MAPK1KDM4EMAOAMAOBCYP1A2
SCHEMBL5693983 0.73 MAPK1 (0.61) MAPK1KDM4EATMMAOAMAOB
SCHEMBL19537981 0.73 MAPK1 (0.61) MAPK1KDM4EATMMAOAMAOB
SCHEMBL5150290 0.73 STK17B (0.56) MAPK1KDM4EATMMAOAMAOB
SCHEMBL4952565 0.73 MAPK1 (0.41) MAPK1KDM4EATMMAOAMAOB
SCHEMBL9421176 0.73 TOP1 (0.41) MAPK1KDM4EATMMAOAMAOB
SCHEMBL8185708 0.73 HTR2B (0.42) MAPK1KDM4EATMMAOAMAOB

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-7482344-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2009-01-27 US disclosed
US-7482344-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2009-01-27 US disclosed
US-7482344-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2009-01-27 US disclosed
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-04-19 US disclosed
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-04-19 US disclosed
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-04-19 US disclosed
WO-2005066153-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
WO-2005066153-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 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 (1 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-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators NR3C2, NR3C1, NR5A1 MAPK1 815/4885KDM4E 3791/4885ATM 4589/4885

“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.