SCHEMBL3179071

SCHEMBL3179071

O=C(O)C(O)(c1ccc(Cl)c(F)c1)c1ccc(Cl)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
KMO O15229 2/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KCNN4 O15554 1/20 0.37
APP P05067 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
Bromomethane SCHEMBL3178733 0.95 CYP2C9 (0.46) CYP2C9CYP2D6HIF1AAKR1C3AKR1C2
SCHEMBL3173667 0.85 CYP2C9 (0.46) CYP2C9CYP2D6HIF1AAKR1C3AKR1C2
SCHEMBL3168786 0.82 CYP2C9 (0.50) CYP2C9CYP2D6HIF1AKMONPC1
SCHEMBL29798913 0.82 KCNN4 (0.51) CYP2C9CYP2D6HIF1AAKR1C3AKR1C2
SCHEMBL523840 0.82 KCNN4 (0.51) CYP2C9CYP2D6HIF1AAKR1C3AKR1C2
SCHEMBL30628282 0.81 AKR1C3 (0.42) AKR1C3AKR1C2ERCC5FEN1KMO
SCHEMBL17420777 0.81 AKR1C3 (0.42) AKR1C3AKR1C2ERCC5FEN1KMO
Bromomethane SCHEMBL3169191 0.81 CYP2C9 (0.46) CYP2C9CYP2D6HIF1AAKR1C3AKR1C2
SCHEMBL1627422 0.80 AKR1C3 (0.63) CYP2C9AKR1C3AKR1C2ERCC5FEN1
SCHEMBL3163695 0.80 SMN1; SMN2 (0.41) CYP2C9AKR1C3AKR1C2KCNN4TRPV1

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
EP-1328524-B1 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2012-12-12 EP disclosed
US-7652138-B2 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-26 US disclosed
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
US-6852728-B2 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-08 US disclosed
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-29 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-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them CHRM1, CHRM3, CHRM2 CYP2C9 368/4885CYP2D6 162/4885HIF1A 3172/4885
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them CHRM1, CHRM3, CHRM2 CYP2C9 162/4885CYP2D6 147/4885HIF1A 3108/4885

“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.