SCHEMBL4169367

SCHEMBL4169367

Clc1ccc(Oc2cccc(CBr)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
LMNA P02545 1/20 0.52
DAGLA Q9Y4D2 1/20 0.47
FDFT1 P37268 2/20 0.46
CETP P11597 1/20 0.44
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
FAAH O00519 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 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
SCHEMBL10879362 0.87 SLC6A4 (0.46) ALDH1A1PPARGPPARALMNAPGR
SCHEMBL4155485 0.86 FDFT1 (0.46) ALDH1A1PPARGPPARALMNADAGLA
SCHEMBL202774 0.85 ALDH1A1 (0.54) ALDH1A1FDFT1CETPMAOBTSHR
SCHEMBL4160110 0.84 KMO (0.51) ALDH1A1PPARGPPARALMNAFDFT1
SCHEMBL9560821 0.84 MAPT (0.44) ALDH1A1NR3C1FAAHMAOAMAOB
SCHEMBL11318601 0.84 ALDH1A1 (0.56) ALDH1A1PPARGPPARALMNADAGLA
Bromide SCHEMBL11317156 0.83 ALDH1A1 (0.53) ALDH1A1FDFT1CETPMAOBTSHR
SCHEMBL4150833 0.82 FFAR1 (0.50) ALDH1A1CETPNR3C1FAAHMAOB
SCHEMBL378897 0.82 FDFT1 (0.46) ALDH1A1FDFT1CETPNR3C1MAOB
SCHEMBL9428779 0.82 LPAR1 (0.44) ALDH1A1PGRMAOBSMN1; SMN2MEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US disclosed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 WO disclosed
EP-0545891-A2 Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-09 EP disclosed
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed
EP-0094085-B1 ETHER COMPOUNDS, THEIR PRODUCTION AND AN INSECTICIDAL AND/OR ACARICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-02 EP disclosed
US-4562213-A Certain phenoxy-benzyloxy ether derivatives and an insecticidal and/or acaricidal composition containing the same and methods of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-12-31 US disclosed
EP-0094085-A1 Ether compounds, their production and an insecticidal and/or acaricidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-16 EP disclosed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R ALDH1A1 1465/4885PPARG 87/4885PPARA 343/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R ALDH1A1 1465/4885PPARG 87/4885PPARA 343/4885

“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.