SCHEMBL4041075

SCHEMBL4041075

O=C(O)C1=Cc2ccccc2Oc2cc(Br)ccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.71
AHR P35869 3/20 0.45
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
ALOX5 P09917 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PIM1 P11309 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
SIRT1 Q96EB6 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4037495 0.89 LMNA (0.56) LMNAAHRSRD5A1SRD5A2ALOX5
SCHEMBL4043208 0.83 LMNA (0.70) LMNAALOX5CA12CA9MAOA
SCHEMBL4038906 0.83 LMNA (0.71) LMNAAHRSRD5A1SRD5A2CA12
Hydrochloric Acid SCHEMBL4045240 0.82 LMNA (0.68) LMNAALOX5CA12CA9MAOA
SCHEMBL7769084 0.75 LMNA (0.53) LMNAALOX5CA12CA9MAOA
SCHEMBL28443001 0.74 SRD5A1 (0.43) LMNASRD5A1SRD5A2CA9PIM1
SCHEMBL2829838 0.74 LMNA (0.59) LMNAAHRALOX5CA12CA9
SCHEMBL7770756 0.72 LMNA (0.60) LMNACA12CA9PTGS1PTGS2
SCHEMBL2827619 0.71 LMNA (0.59) LMNAAHRCA12CA9MEN1
SCHEMBL4038858 0.70 LMNA (0.54) LMNAALOX5CA12CA9MEN1

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-7612054-B2 Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
EP-1651592-B1 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2009-04-29 EP disclosed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US disclosed
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 US disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-22 US disclosed
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 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 (3 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-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function NR2C2, NR0B2, NR0B1 LMNA 4521/4885AHR 59/4885SRD5A1 130/4885
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE LMNA 2840/4885AHR 1890/4885SRD5A1 1705/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 LMNA 3936/4885AHR 265/4885SRD5A1 136/4885

“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.