SCHEMBL4160110

SCHEMBL4160110

Clc1ccc(Oc2cccc(CBr)c2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.47
▸ FDFT1 P37268 3/20 0.47
▸ CETP P11597 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ HTR2A P28223 5/20 0.44
▸ SLC6A4 P31645 5/20 0.44
▸ KCNH2 Q12809 4/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.40
▸ LMNA P02545 1/20 0.39

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
SCHEMBL4169367 0.84 ALDH1A1 (0.58) FDFT1CETPFAAHALDH1A1PPARG
SCHEMBL4173678 0.83 KMO (0.51) KMOHSP90AA1FDFT1CETPFAAH
SCHEMBL4173672 0.83 KMO (0.51) KMOHSP90AA1FDFT1CETPFAAH
SCHEMBL2347904 0.83 KMO (0.55) KMOHSP90AA1FDFT1CETPFAAH
SCHEMBL16316249 0.83 KMO (0.51) KMOHSP90AA1FDFT1CETPFAAH
SCHEMBL10879362 0.82 SLC6A4 (0.46) FAAHHTR2ASLC6A4KCNH2SLC6A2
SCHEMBL4155485 0.81 FDFT1 (0.46) FDFT1FAAHSLC6A4SLC6A2SLC6A3
SCHEMBL202774 0.80 ALDH1A1 (0.54) FDFT1CETPALDH1A1
SCHEMBL13719216 0.79 KMO (0.48) KMOHSP90AA1FDFT1CETPFAAH
SCHEMBL10547112 0.79 KMO (0.51) KMOHSP90AA1FDFT1CETPFAAH

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 6 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
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 KMO 2139/4885HSP90AA1 1125/4885FDFT1 1269/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R KMO 2139/4885HSP90AA1 1125/4885FDFT1 1269/4885

“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.

Send feedback